- InChI
- InChI=1S/C18H26F2O2/c1-2-3-4-5-6-7-8-9-10-13-22-18(21)15-11-12-16(19)17(20)14-15/h11-12,14H,2-10,13H2,1H3
- InChI Key
- SNVHBAADEQJYIC-UHFFFAOYSA-N
- Formula
- C18H26F2O2
- SMILES
-
CCCCCCCCCCCOC(=O)c1ccc(F)c(F)c
1 - Molecular Weight1
- 312.39
- 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 | 0.8966 | Relay (1.0) Calculated Property | |
| ΔfG° | -429.71 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -854.08 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 44.59 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 92.52 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.35 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.75 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.652 | Crippen Calculated Property | |
| McVol | 251.700 | ml/mol | McGowan Calculated Property |
| Pc | 1382.99 | kPa | Joback Calculated Property |
| Inp | [2056.00; 2056.00] |
|
|
| Inp | 2056.00 | NIST | |
| Inp | 2056.00 | NIST | |
| Tboil | 595.10 | K | Relay (1.0) Calculated Property |
| Tc | 783.56 | K | Relay (1.0) Calculated Property |
| Tfus | 289.56 | K | Relay (1.0) Calculated Property |
| Vc | 0.959 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [725.89; 811.54] | J/mol×K | [722.71; 904.96] |
|
| Cp,gas | 725.89 | J/mol×K | 722.71 | Joback Calculated Property |
| Cp,gas | 742.27 | J/mol×K | 753.09 | Joback Calculated Property |
| Cp,gas | 757.78 | J/mol×K | 783.46 | Joback Calculated Property |
| Cp,gas | 772.44 | J/mol×K | 813.84 | Joback Calculated Property |
| Cp,gas | 786.27 | J/mol×K | 844.21 | Joback Calculated Property |
| Cp,gas | 799.30 | J/mol×K | 874.59 | Joback Calculated Property |
| Cp,gas | 811.54 | J/mol×K | 904.96 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3,4-Difluorobenzoic acid, undecyl ester.
Sources
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