- InChI
- InChI=1S/C22H34O4/c1-7-9-11-19(15-17(3)4)25-21(23)13-14-22(24)26-20(12-10-8-2)16-18(5)6/h17-20H,7-8,13-16H2,1-6H3
- InChI Key
- OJJLYZOWTLWIFX-UHFFFAOYSA-N
- Formula
- C22H34O4
- SMILES
-
CCC#CC(CC(C)C)OC(=O)CCC(=O)OC(
C#CCC)CC(C)C - Molecular Weight1
- 362.50
- 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° | 62.36 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -463.53 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 50.46 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 85.63 | kJ/mol | Joback Calculated Property |
| log10WS | -6.09 | Crippen Calculated Property | |
| logPoct/wat | 4.509 | Crippen Calculated Property | |
| McVol | 318.520 | ml/mol | McGowan Calculated Property |
| Pc | 1200.62 | kPa | Joback Calculated Property |
| Inp | [2220.00; 2220.00] |
|
|
| Inp | 2220.00 | NIST | |
| Inp | 2220.00 | NIST | |
| Tboil | 871.58 | K | Joback Calculated Property |
| Tc | 1080.63 | K | Joback Calculated Property |
| Tfus | 634.22 | K | Joback Calculated Property |
| Vc | 1.216 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [990.96; 1077.31] | J/mol×K | [871.58; 1080.63] |
|
| Cp,gas | 990.96 | J/mol×K | 871.58 | Joback Calculated Property |
| Cp,gas | 1008.48 | J/mol×K | 906.42 | Joback Calculated Property |
| Cp,gas | 1024.73 | J/mol×K | 941.26 | Joback Calculated Property |
| Cp,gas | 1039.72 | J/mol×K | 976.11 | Joback Calculated Property |
| Cp,gas | 1053.46 | J/mol×K | 1010.95 | Joback Calculated Property |
| Cp,gas | 1065.99 | J/mol×K | 1045.79 | Joback Calculated Property |
| Cp,gas | 1077.31 | J/mol×K | 1080.63 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, di(2-methyloct-5-yn-4-yl) ester.
Sources
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