- InChI
- InChI=1S/C22H36O4/c1-2-3-4-5-6-7-8-9-10-11-14-19-25-21(23)17-18-22(24)26-20-15-12-13-16-20/h20H,2-10,12-13,15-19H2,1H3
- InChI Key
- YGQYYBWVBREAHW-UHFFFAOYSA-N
- Formula
- C22H36O4
- SMILES
-
CCCCCCCCCCC#CCOC(=O)CCC(=O)OC1
CCCC1 - Molecular Weight1
- 364.52
- 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° | -94.13 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -654.23 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 55.37 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 85.29 | kJ/mol | Joback Calculated Property |
| log10WS | -6.56 | Crippen Calculated Property | |
| logPoct/wat | 5.330 | Crippen Calculated Property | |
| McVol | 316.260 | ml/mol | McGowan Calculated Property |
| Pc | 1190.70 | kPa | Joback Calculated Property |
| Inp | [2737.00; 2737.00] |
|
|
| Inp | 2737.00 | NIST | |
| Inp | 2737.00 | NIST | |
| Tboil | 879.62 | K | Joback Calculated Property |
| Tc | 1084.53 | K | Joback Calculated Property |
| Tfus | 599.02 | K | Joback Calculated Property |
| Vc | 1.218 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1033.16; 1123.36] | J/mol×K | [879.62; 1084.53] |
|
| Cp,gas | 1033.16 | J/mol×K | 879.62 | Joback Calculated Property |
| Cp,gas | 1051.35 | J/mol×K | 913.77 | Joback Calculated Property |
| Cp,gas | 1068.24 | J/mol×K | 947.92 | Joback Calculated Property |
| Cp,gas | 1083.85 | J/mol×K | 982.08 | Joback Calculated Property |
| Cp,gas | 1098.22 | J/mol×K | 1016.23 | Joback Calculated Property |
| Cp,gas | 1111.38 | J/mol×K | 1050.38 | Joback Calculated Property |
| Cp,gas | 1123.36 | J/mol×K | 1084.53 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, tridec-2-yn-1-yl cyclopentyl ester.
Sources
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