- InChI
- InChI=1S/C20H24ClFO4/c1-14(2)6-4-7-15(3)12-13-25-18(23)10-11-19(24)26-20-16(21)8-5-9-17(20)22/h5-6,8-9,12H,4,7,10-11,13H2,1-3H3/b15-12+
- InChI Key
- WHADLGWNLNRTHN-NTCAYCPXSA-N
- Formula
- C20H24ClFO4
- SMILES
-
CC(C)=CCCC(C)=CCOC(=O)CCC(=O)O
c1c(F)cccc1Cl - Molecular Weight1
- 382.85
- 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° | -320.57 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -729.13 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 51.45 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 85.67 | kJ/mol | Joback Calculated Property |
| log10WS | -6.39 | Crippen Calculated Property | |
| logPoct/wat | 5.401 | Crippen Calculated Property | |
| McVol | 289.190 | ml/mol | McGowan Calculated Property |
| Pc | 1358.63 | kPa | Joback Calculated Property |
| Inp | [2592.00; 2592.00] |
|
|
| Inp | 2592.00 | NIST | |
| Inp | 2592.00 | NIST | |
| Tboil | 891.00 | K | Joback Calculated Property |
| Tc | 1103.76 | K | Joback Calculated Property |
| Tfus | 503.37 | K | Joback Calculated Property |
| Vc | 1.125 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [855.57; 925.26] | J/mol×K | [891.00; 1103.76] |
|
| Cp,gas | 855.57 | J/mol×K | 891.00 | Joback Calculated Property |
| Cp,gas | 869.47 | J/mol×K | 926.46 | Joback Calculated Property |
| Cp,gas | 882.38 | J/mol×K | 961.92 | Joback Calculated Property |
| Cp,gas | 894.36 | J/mol×K | 997.38 | Joback Calculated Property |
| Cp,gas | 905.47 | J/mol×K | 1032.84 | Joback Calculated Property |
| Cp,gas | 915.75 | J/mol×K | 1068.30 | Joback Calculated Property |
| Cp,gas | 925.26 | J/mol×K | 1103.76 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, 2-chloro-6-fluorophenyl geranyl ester.
Sources
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