- InChI
- InChI=1S/C20H30F2O2/c1-3-5-7-8-10-12-17(11-9-6-4-2)24-20(23)16-13-14-18(21)19(22)15-16/h13-15,17H,3-12H2,1-2H3
- InChI Key
- JCVXZPNXPZZDTB-UHFFFAOYSA-N
- Formula
- C20H30F2O2
- SMILES
-
CCCCCCCC(CCCCC)OC(=O)c1ccc(F)c
(F)c1 - Molecular Weight1
- 340.45
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.9067 | Relay (... Calculated Property | |
| ΔfG° | -415.31 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -896.82 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 46.24 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 96.91 | kJ/mol | Relay (... Calculated Property |
| IE | 9.32 | eV | Relay (... Calculated Property |
| log10WS | -6.91 | Relay (... Calculated Property | |
| logPoct/wat | 6.431 | Crippen Calculated Property | |
| McVol | 279.880 | ml/mol | McGowan Calculated Property |
| Pc | 1211.51 | kPa | Joback Calculated Property |
| Inp | [2082.00; 2082.00] |
|
|
| Inp | 2082.00 | NIST | |
| Inp | 2082.00 | NIST | |
| Tboil | 605.79 | K | Relay (... Calculated Property |
| Tc | 792.93 | K | Relay (... Calculated Property |
| Tfus | 266.95 | K | Relay (... Calculated Property |
| Vc | 1.046 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [841.47; 931.02] | J/mol×K | [768.03; 953.00] |
|
| Cp,gas | 841.47 | J/mol×K | 768.03 | Joback Calculated Property |
| Cp,gas | 858.73 | J/mol×K | 798.86 | Joback Calculated Property |
| Cp,gas | 875.02 | J/mol×K | 829.69 | Joback Calculated Property |
| Cp,gas | 890.36 | J/mol×K | 860.52 | Joback Calculated Property |
| Cp,gas | 904.80 | J/mol×K | 891.34 | Joback Calculated Property |
| Cp,gas | 918.34 | J/mol×K | 922.17 | Joback Calculated Property |
| Cp,gas | 931.02 | J/mol×K | 953.00 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3,4-Difluorobenzoic acid, 6-tridecyl ester.
Sources
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