- InChI
- InChI=1S/C14H18F2O2/c1-2-3-4-5-6-9-18-14(17)11-7-8-12(15)13(16)10-11/h7-8,10H,2-6,9H2,1H3
- InChI Key
- COGOHGGQSAAJTR-UHFFFAOYSA-N
- Formula
- C14H18F2O2
- SMILES
- CCCCCCCOC(=O)c1ccc(F)c(F)c1
- Molecular Weight1
- 256.29
- 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° | -463.39 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -755.72 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 34.23 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 57.88 | kJ/mol | Joback Calculated Property |
| log10WS | -4.89 | Crippen Calculated Property | |
| logPoct/wat | 4.092 | Crippen Calculated Property | |
| McVol | 195.340 | ml/mol | McGowan Calculated Property |
| Pc | 1882.17 | kPa | Joback Calculated Property |
| Inp | [1648.00; 1648.00] |
|
|
| Inp | 1648.00 | NIST | |
| Inp | 1648.00 | NIST | |
| Tboil | 631.19 | K | Joback Calculated Property |
| Tc | 817.08 | K | Joback Calculated Property |
| Tfus | 372.34 | K | Joback Calculated Property |
| Vc | 0.771 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [509.59; 586.41] | J/mol×K | [631.19; 817.08] |
|
| Cp,gas | 509.59 | J/mol×K | 631.19 | Joback Calculated Property |
| Cp,gas | 524.18 | J/mol×K | 662.17 | Joback Calculated Property |
| Cp,gas | 538.04 | J/mol×K | 693.15 | Joback Calculated Property |
| Cp,gas | 551.17 | J/mol×K | 724.13 | Joback Calculated Property |
| Cp,gas | 563.60 | J/mol×K | 755.12 | Joback Calculated Property |
| Cp,gas | 575.34 | J/mol×K | 786.10 | Joback Calculated Property |
| Cp,gas | 586.41 | J/mol×K | 817.08 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3,4-Difluorobenzoic acid, heptyl ester.
Sources
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