- InChI
- InChI=1S/C21H34O4/c1-17(2)8-7-9-18(3)14-15-24-20(22)12-13-21(23)25-16-19-10-5-4-6-11-19/h8,14,19H,4-7,9-13,15-16H2,1-3H3/b18-14+
- InChI Key
- PDGQJGJZIAJVRG-NBVRZTHBSA-N
- Formula
- C21H34O4
- SMILES
-
CC(C)=CCCC(C)=CCOC(=O)CCC(=O)O
CC1CCCCC1 - Molecular Weight1
- 350.49
- 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° | -174.11 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -697.19 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 45.34 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 81.16 | kJ/mol | Joback Calculated Property |
| log10WS | -5.70 | Crippen Calculated Property | |
| logPoct/wat | 5.126 | Crippen Calculated Property | |
| McVol | 302.170 | ml/mol | McGowan Calculated Property |
| Pc | 1254.81 | kPa | Joback Calculated Property |
| Inp | [2550.00; 2550.00] |
|
|
| Inp | 2550.00 | NIST | |
| Inp | 2550.00 | NIST | |
| Tboil | 860.09 | K | Joback Calculated Property |
| Tc | 1067.62 | K | Joback Calculated Property |
| Tfus | 440.05 | K | Joback Calculated Property |
| Vc | 1.155 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [974.18; 1066.90] | J/mol×K | [860.09; 1067.62] |
|
| Cp,gas | 974.18 | J/mol×K | 860.09 | Joback Calculated Property |
| Cp,gas | 992.59 | J/mol×K | 894.68 | Joback Calculated Property |
| Cp,gas | 1009.75 | J/mol×K | 929.27 | Joback Calculated Property |
| Cp,gas | 1025.70 | J/mol×K | 963.86 | Joback Calculated Property |
| Cp,gas | 1040.51 | J/mol×K | 998.44 | Joback Calculated Property |
| Cp,gas | 1054.22 | J/mol×K | 1033.03 | Joback Calculated Property |
| Cp,gas | 1066.90 | J/mol×K | 1067.62 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, cyclohexylmethyl geranyl ester.
Sources
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