- InChI
- InChI=1S/C15H18ClFO4/c1-10(2)8-9-20-13(18)6-7-14(19)21-15-11(16)4-3-5-12(15)17/h3-5,10H,6-9H2,1-2H3
- InChI Key
- UFCREKHDGNIAFQ-UHFFFAOYSA-N
- Formula
- C15H18ClFO4
- SMILES
-
CC(C)CCOC(=O)CCC(=O)Oc1c(F)ccc
c1Cl - Molecular Weight1
- 316.75
- 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° | -508.45 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -846.07 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 37.20 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 74.08 | kJ/mol | Joback Calculated Property |
| log10WS | -4.35 | Crippen Calculated Property | |
| logPoct/wat | 3.754 | Crippen Calculated Property | |
| McVol | 227.340 | ml/mol | McGowan Calculated Property |
| Pc | 1827.85 | kPa | Joback Calculated Property |
| Inp | 2008.00 | NIST | |
| Tboil | 768.08 | K | Joback Calculated Property |
| Tc | 972.20 | K | Joback Calculated Property |
| Tfus | 470.10 | K | Joback Calculated Property |
| Vc | 0.876 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [627.25; 693.05] | J/mol×K | [768.08; 972.20] | 
|
| Cp,gas | 627.25 | J/mol×K | 768.08 | Joback Calculated Property |
| Cp,gas | 640.50 | J/mol×K | 802.10 | Joback Calculated Property |
| Cp,gas | 652.83 | J/mol×K | 836.12 | Joback Calculated Property |
| Cp,gas | 664.24 | J/mol×K | 870.14 | Joback Calculated Property |
| Cp,gas | 674.75 | J/mol×K | 904.16 | Joback Calculated Property |
| Cp,gas | 684.35 | J/mol×K | 938.18 | Joback Calculated Property |
| Cp,gas | 693.05 | J/mol×K | 972.20 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, 2-chloro-6-fluorophenyl 3-methylbutyl ester.
Sources
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