- InChI
- InChI=1S/C14H16ClFO4/c1-2-8-19-13(17)6-7-14(18)20-9-10-11(15)4-3-5-12(10)16/h3-5H,2,6-9H2,1H3
- InChI Key
- PVBHFGDMFYMYNB-UHFFFAOYSA-N
- Formula
- C14H16ClFO4
- SMILES
-
CCCOC(=O)CCC(=O)OCc1c(F)cccc1C
l - Molecular Weight1
- 302.73
- 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° | -514.43 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -820.15 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 38.13 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 72.24 | kJ/mol | Joback Calculated Property |
| log10WS | -4.02 | Crippen Calculated Property | |
| logPoct/wat | 3.256 | Crippen Calculated Property | |
| McVol | 213.250 | ml/mol | McGowan Calculated Property |
| Pc | 1973.55 | kPa | Joback Calculated Property |
| Inp | [2016.00; 2016.00] |
|
|
| Inp | 2016.00 | NIST | |
| Inp | 2016.00 | NIST | |
| Tboil | 745.64 | K | Joback Calculated Property |
| Tc | 948.52 | K | Joback Calculated Property |
| Tfus | 473.83 | K | Joback Calculated Property |
| Vc | 0.827 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [572.64; 636.05] | J/mol×K | [745.64; 948.52] |
|
| Cp,gas | 572.64 | J/mol×K | 745.64 | Joback Calculated Property |
| Cp,gas | 585.31 | J/mol×K | 779.45 | Joback Calculated Property |
| Cp,gas | 597.13 | J/mol×K | 813.27 | Joback Calculated Property |
| Cp,gas | 608.11 | J/mol×K | 847.08 | Joback Calculated Property |
| Cp,gas | 618.26 | J/mol×K | 880.89 | Joback Calculated Property |
| Cp,gas | 627.57 | J/mol×K | 914.70 | Joback Calculated Property |
| Cp,gas | 636.05 | J/mol×K | 948.52 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, 2-chloro-6-fluorobenzyl propyl ester.
Sources
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