- InChI
- InChI=1S/C20H25FO4/c1-15(2)7-6-8-16(3)13-14-24-19(22)11-12-20(23)25-18-10-5-4-9-17(18)21/h4-5,7,9-10,13H,6,8,11-12,14H2,1-3H3/b16-13-
- InChI Key
- KUJOBMVTXPEIAA-SSZFMOIBSA-N
- Formula
- C20H25FO4
- SMILES
-
CC(C)=CCCC(C)=CCOC(=O)CCC(=O)O
c1ccccc1F - Molecular Weight1
- 348.41
- 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° | -299.01 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -701.92 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 47.65 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 80.62 | kJ/mol | Joback Calculated Property |
| log10WS | -5.71 | Crippen Calculated Property | |
| logPoct/wat | 4.747 | Crippen Calculated Property | |
| McVol | 276.950 | ml/mol | McGowan Calculated Property |
| Pc | 1412.25 | kPa | Joback Calculated Property |
| Inp | [2420.00; 2420.00] |
|
|
| Inp | 2420.00 | NIST | |
| Inp | 2420.00 | NIST | |
| Tboil | 848.59 | K | Joback Calculated Property |
| Tc | 1055.83 | K | Joback Calculated Property |
| Tfus | 460.93 | K | Joback Calculated Property |
| Vc | 1.075 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [831.27; 907.40] | J/mol×K | [848.59; 1055.83] |
|
| Cp,gas | 831.27 | J/mol×K | 848.59 | Joback Calculated Property |
| Cp,gas | 846.28 | J/mol×K | 883.13 | Joback Calculated Property |
| Cp,gas | 860.30 | J/mol×K | 917.67 | Joback Calculated Property |
| Cp,gas | 873.37 | J/mol×K | 952.21 | Joback Calculated Property |
| Cp,gas | 885.54 | J/mol×K | 986.75 | Joback Calculated Property |
| Cp,gas | 896.87 | J/mol×K | 1021.29 | Joback Calculated Property |
| Cp,gas | 907.40 | J/mol×K | 1055.83 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, 2-fluorophenyl neryl ester.
Sources
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