- InChI
- InChI=1S/C18H30O4/c1-3-5-6-7-8-9-10-11-12-13-16-22-18(20)15-14-17(19)21-4-2/h3-4,7-16H2,1-2H3
- InChI Key
- NSMIPLPWRAYALI-UHFFFAOYSA-N
- Formula
- C18H30O4
- SMILES
- CCC#CCCCCCCCCOC(=O)CCC(=O)OCC
- Molecular Weight1
- 310.43
- 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° | -164.36 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -632.15 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 51.07 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 76.13 | kJ/mol | Joback Calculated Property |
| log10WS | -4.88 | Crippen Calculated Property | |
| logPoct/wat | 4.017 | Crippen Calculated Property | |
| McVol | 270.760 | ml/mol | McGowan Calculated Property |
| Pc | 1377.86 | kPa | Joback Calculated Property |
| Inp | [2230.00; 2230.00] |
|
|
| Inp | 2230.00 | NIST | |
| Inp | 2230.00 | NIST | |
| Tboil | 772.82 | K | Joback Calculated Property |
| Tc | 961.42 | K | Joback Calculated Property |
| Tfus | 543.04 | K | Joback Calculated Property |
| Vc | 1.054 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [801.97; 888.23] | J/mol×K | [772.82; 961.42] |
|
| Cp,gas | 801.97 | J/mol×K | 772.82 | Joback Calculated Property |
| Cp,gas | 818.65 | J/mol×K | 804.25 | Joback Calculated Property |
| Cp,gas | 834.39 | J/mol×K | 835.69 | Joback Calculated Property |
| Cp,gas | 849.21 | J/mol×K | 867.12 | Joback Calculated Property |
| Cp,gas | 863.12 | J/mol×K | 898.55 | Joback Calculated Property |
| Cp,gas | 876.12 | J/mol×K | 929.99 | Joback Calculated Property |
| Cp,gas | 888.23 | J/mol×K | 961.42 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, dodec-9-yn-1-yl ethyl ester.
Sources
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