- InChI
- InChI=1S/C13H14F2O4/c1-2-18-12(16)5-6-13(17)19-8-9-3-4-10(14)11(15)7-9/h3-4,7H,2,5-6,8H2,1H3
- InChI Key
- NEXYAZBZBOQMQR-UHFFFAOYSA-N
- Formula
- C13H14F2O4
- SMILES
-
CCOC(=O)CCC(=O)OCc1ccc(F)c(F)c
1 - Molecular Weight1
- 272.24
- 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 | 0.7107 | Relay (1.0) Calculated Property | |
| ΔfG° | -705.73 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1060.24 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 34.42 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 82.16 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.90 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.45 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.351 | Crippen Calculated Property | |
| McVol | 188.690 | ml/mol | McGowan Calculated Property |
| Pc | 2137.41 | kPa | Joback Calculated Property |
| Inp | [1741.00; 1741.00] |
|
|
| Inp | 1741.00 | NIST | |
| Inp | 1741.00 | NIST | |
| Tboil | 554.51 | K | Relay (1.0) Calculated Property |
| Tc | 742.65 | K | Relay (1.0) Calculated Property |
| Tfus | 278.47 | K | Relay (1.0) Calculated Property |
| Vc | 0.710 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [502.56; 567.28] | J/mol×K | [684.60; 878.41] |
|
| Cp,gas | 502.56 | J/mol×K | 684.60 | Joback Calculated Property |
| Cp,gas | 515.16 | J/mol×K | 716.90 | Joback Calculated Property |
| Cp,gas | 527.04 | J/mol×K | 749.20 | Joback Calculated Property |
| Cp,gas | 538.19 | J/mol×K | 781.50 | Joback Calculated Property |
| Cp,gas | 548.61 | J/mol×K | 813.81 | Joback Calculated Property |
| Cp,gas | 558.31 | J/mol×K | 846.11 | Joback Calculated Property |
| Cp,gas | 567.28 | J/mol×K | 878.41 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, 3,4-difluorobenzyl ethyl ester.
Sources
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