# Antoine Equation Coefficient for pure substances

## Including water, acetone, methanol, benzene, phenol

1. How to use Antoine Equation coefficients
2. Table of coefficients of Antoine Equation for pure compounds
3. Excel data table

## 1. How to use Antoine Equation coefficients

The coefficients given in the table below allow to calculate the saturation pressure of the pure substances listed, in mmHg, from the temperature in degree celsius.

They are parameters for a modelisation of the saturation pressure as a function of the temperature following an Antoine Law. Note that the Antoine equation is expressed for the  coefficients given in this page as a Log in base 10.

Equation 1 : Antoine Equation for calculation of saturation pressure - log base 10

## 2. Table of coefficients of Antoine Equation for pure compounds

Note the domain of validity of the correlation, in between Tmin and Tmax. The saturation pressure is in mmHg and the temperature in celsius. The classification in the table is done by alphabetical order of the compound name. No guarantee is given on the data provided, the user is strongly advised to double check the information provided with other sources.

It is possible to switch from mmHg - or Torr- to other units by multiplying by the following coefficients :

 (Pa) (bar) (at) (atm) (Torr) (lbf/in2) 1 Torr 133.322 368 421 0.001 333 224 0.001 359 51 1/760 ≈ 0.001 315 789 1 Torr ≈ 1 mmHg 0.019 336 775

 Formula Compound Name A B C TMIN TMAX C3H6O acetone 7.2316 1277.03 237.23 -32 77 C2H4O2 acetic-acid 7.2996 1479.02 216.82 17 157 C2H3N acetonitrile 7.0735 1279.2 224.01 -13 117 C6H6 benzene 6.90565 1211.033 220.79 -16 104 C4H10 butane 6.80896 935.86 238.73 -78 19 CCL4 carbon-tetrachloride 6.8941 1219.58 227.17 -20 101 C6H5CL chlorobenzene 6.9781 1431.05 217.56 47 147 C4H9CL 1-chlorobutane 6.9379 1227.43 224.11 -18 112 C4H9CL 2-chlorobutane 6.9447 1195.8 226.01 -23 102 CHCL3 chloroform 6.9371 1171.2 227 -13 97 C6H12 cyclohexane 6.8413 1201.531 222.647 6 105 C5H10 cyclopentane 6.88676 1124.162 231.361 -40 72 C10H22 decane 6.96375 1508.75 195.374 58 203 CH2CL2 dichloromethane 7.0803 1138.91 231.46 -44 59 C4H10O ethyl-ether 6.92032 1064.07 228.8 -61 20 C4H8O2 p-dioxane 7.0063 1288.5 211.01 2 137 C20H42 eicosane 7.1522 2032.7 132.1 198 379

 C2H6O Ethyl-alcohol (ethanol) 8.2133 1652.05 231.48 -3 96 C8H10 ethylbenzene 6.95719 1424.26 213.206 26 163 C2H6O2 ethylene-glycol 8.7945 2615.4 244.91 91 221 C7H16 heptane 6.89385 1264.37 216.636 -2 123 C6H14 hexane 6.87024 1168.72 224.21 -25 92 CH4O methanol 8.0724 1574.99 238.87 -16 91 C4H8O2 ethyl-acetate 7.0146 1211.9 216.01 -13 112 CH3NO2 nitromethane 7.044 1291 209.01 5 136 C9H20 nonane 6.9344 1429.46 201.82 39 179 C8H18 octane 6.9094 1349.82 209.385 19 152 C5H12 pentane 6.87632 1075.78 233.205 -50 58 C6H6O phenol 7.1345 1516.07 174.57 72 208 H20 Water 8.07131 1730.63 233.426 1 100 H20 Water 8.14019 1810.94 244.485 99 374

## 3. Excel data table

You can download the table above in Excel format here : Excel data table. You can modify the calculation temperature and it calculates the saturation pressure for all the compounds in the table.