- InChI
- InChI=1S/C31H39F5O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-21-39-30(37)22-19-16-17-20-23(22)31(38)40-29-27(35)25(33)24(32)26(34)28(29)36/h16-17,19-20H,2-15,18,21H2,1H3
- InChI Key
- VGINDGOSKODBBO-UHFFFAOYSA-N
- Formula
- C31H39F5O4
- SMILES
-
CCCCCCCCCCCCCCCCCOC(=O)c1ccccc
1C(=O)Oc1c(F)c(F)c(F)c(F)c1F - Molecular Weight1
- 570.63
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfG° | -1064.71 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1749.08 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 82.77 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 107.35 | kJ/mol | Joback Calculated Property |
| log10WS | -12.16 | Crippen Calculated Property | |
| logPoct/wat | 9.630 | Crippen Calculated Property | |
| McVol | 423.860 | ml/mol | McGowan Calculated Property |
| Pc | 709.22 | kPa | Joback Calculated Property |
| Inp | 3365.00 | NIST | |
| Tboil | 1140.85 | K | Joback Calculated Property |
| Tc | 1434.31 | K | Joback Calculated Property |
| Tfus | 714.36 | K | Joback Calculated Property |
| Vc | 1.694 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1471.22; 1517.72] | J/mol×K | [1140.85; 1434.31] | 
|
| Cp,gas | 1471.22 | J/mol×K | 1140.85 | Joback Calculated Property |
| Cp,gas | 1485.48 | J/mol×K | 1189.76 | Joback Calculated Property |
| Cp,gas | 1496.99 | J/mol×K | 1238.67 | Joback Calculated Property |
| Cp,gas | 1505.85 | J/mol×K | 1287.58 | Joback Calculated Property |
| Cp,gas | 1512.19 | J/mol×K | 1336.49 | Joback Calculated Property |
| Cp,gas | 1516.11 | J/mol×K | 1385.40 | Joback Calculated Property |
| Cp,gas | 1517.72 | J/mol×K | 1434.31 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Phthalic acid, heptadecyl pentafluorophenyl ester.
Sources
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