- InChI
- InChI=1S/C23H36F2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-27-23(26)20-16-17-21(24)22(25)19-20/h16-17,19H,2-15,18H2,1H3
- InChI Key
- LWFCMVJWCZOAFZ-UHFFFAOYSA-N
- Formula
- C23H36F2O2
- SMILES
-
CCCCCCCCCCCCCCCCOC(=O)c1ccc(F)
c(F)c1 - Molecular Weight1
- 382.53
- 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° | -387.61 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -941.48 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 57.54 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 77.91 | kJ/mol | Joback Calculated Property |
| log10WS | -8.66 | Crippen Calculated Property | |
| logPoct/wat | 7.603 | Crippen Calculated Property | |
| McVol | 322.150 | ml/mol | McGowan Calculated Property |
| Pc | 995.76 | kPa | Joback Calculated Property |
| Inp | [2575.00; 2575.00] |
|
|
| Inp | 2575.00 | NIST | |
| Inp | 2575.00 | NIST | |
| Tboil | 837.11 | K | Joback Calculated Property |
| Tc | 1026.91 | K | Joback Calculated Property |
| Tfus | 473.77 | K | Joback Calculated Property |
| Vc | 1.276 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1020.49; 1114.07] | J/mol×K | [837.11; 1026.91] |
|
| Cp,gas | 1020.49 | J/mol×K | 837.11 | Joback Calculated Property |
| Cp,gas | 1038.69 | J/mol×K | 868.74 | Joback Calculated Property |
| Cp,gas | 1055.80 | J/mol×K | 900.38 | Joback Calculated Property |
| Cp,gas | 1071.86 | J/mol×K | 932.01 | Joback Calculated Property |
| Cp,gas | 1086.90 | J/mol×K | 963.64 | Joback Calculated Property |
| Cp,gas | 1100.96 | J/mol×K | 995.28 | Joback Calculated Property |
| Cp,gas | 1114.07 | J/mol×K | 1026.91 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3,4-Difluorobenzoic acid, hexadecyl ester.
Sources
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