- InChI
- InChI=1S/C19H30O4/c1-15(2)7-6-8-17(5)12-14-23-19(21)10-9-18(20)22-13-11-16(3)4/h7,11-12H,6,8-10,13-14H2,1-5H3/b17-12-
- InChI Key
- FBCUFTYQYAQVRQ-ATVHPVEESA-N
- Formula
- C19H30O4
- SMILES
-
CC(C)=CCCC(C)=CCOC(=O)CCC(=O)O
CC=C(C)C - Molecular Weight1
- 322.44
- 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° | -143.73 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -602.80 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 47.22 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 76.31 | kJ/mol | Joback Calculated Property |
| log10WS | -5.06 | Crippen Calculated Property | |
| logPoct/wat | 4.512 | Crippen Calculated Property | |
| McVol | 280.550 | ml/mol | McGowan Calculated Property |
| Pc | 1294.86 | kPa | Joback Calculated Property |
| Inp | [2226.00; 2226.00] |
|
|
| Inp | 2226.00 | NIST | |
| Inp | 2226.00 | NIST | |
| Tboil | 798.82 | K | Joback Calculated Property |
| Tc | 994.13 | K | Joback Calculated Property |
| Tfus | 391.09 | K | Joback Calculated Property |
| Vc | 1.091 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [832.72; 919.84] | J/mol×K | [798.82; 994.13] |
|
| Cp,gas | 832.72 | J/mol×K | 798.82 | Joback Calculated Property |
| Cp,gas | 849.32 | J/mol×K | 831.37 | Joback Calculated Property |
| Cp,gas | 865.02 | J/mol×K | 863.92 | Joback Calculated Property |
| Cp,gas | 879.87 | J/mol×K | 896.48 | Joback Calculated Property |
| Cp,gas | 893.93 | J/mol×K | 929.03 | Joback Calculated Property |
| Cp,gas | 907.23 | J/mol×K | 961.58 | Joback Calculated Property |
| Cp,gas | 919.84 | J/mol×K | 994.13 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, 3-methylbut-2-en-1-yl neryl ester.
Sources
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