- InChI
- InChI=1S/C21H35ClO4/c1-3-14-19(4-2)26-21(24)16-13-15-20(23)25-18-12-10-8-6-5-7-9-11-17-22/h19H,4-13,15-18H2,1-2H3
- InChI Key
- XADLJHUICPGKFR-UHFFFAOYSA-N
- Formula
- C21H35ClO4
- SMILES
-
CC#CC(CC)OC(=O)CCCC(=O)OCCCCCC
CCCCCl - Molecular Weight1
- 386.95
- 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° | -153.47 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -715.09 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 59.52 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 86.80 | kJ/mol | Joback Calculated Property |
| log10WS | -6.40 | Crippen Calculated Property | |
| logPoct/wat | 5.405 | Crippen Calculated Property | |
| McVol | 325.270 | ml/mol | McGowan Calculated Property |
| Pc | 1103.01 | kPa | Joback Calculated Property |
| Inp | [2716.00; 2716.00] |
|
|
| Inp | 2716.00 | NIST | |
| Inp | 2716.00 | NIST | |
| Tboil | 878.45 | K | Joback Calculated Property |
| Tc | 1078.67 | K | Joback Calculated Property |
| Tfus | 591.77 | K | Joback Calculated Property |
| Vc | 1.264 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1010.14; 1093.40] | J/mol×K | [878.45; 1078.67] |
|
| Cp,gas | 1010.14 | J/mol×K | 878.45 | Joback Calculated Property |
| Cp,gas | 1026.85 | J/mol×K | 911.82 | Joback Calculated Property |
| Cp,gas | 1042.39 | J/mol×K | 945.19 | Joback Calculated Property |
| Cp,gas | 1056.80 | J/mol×K | 978.56 | Joback Calculated Property |
| Cp,gas | 1070.09 | J/mol×K | 1011.93 | Joback Calculated Property |
| Cp,gas | 1082.28 | J/mol×K | 1045.30 | Joback Calculated Property |
| Cp,gas | 1093.40 | J/mol×K | 1078.67 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, hex-4-yn-3-yl 10-chlorodecyl ester.
Sources
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