- InChI
- InChI=1S/C22H37ClO4/c1-3-5-6-11-15-20(4-2)27-22(25)17-14-16-21(24)26-19-13-10-8-7-9-12-18-23/h20H,3-5,7-10,12-19H2,1-2H3
- InChI Key
- MJQBFGSJEBIVMS-UHFFFAOYSA-N
- Formula
- C22H37ClO4
- SMILES
-
CCCC#CCC(CC)OC(=O)CCCC(=O)OCCC
CCCCCCl - Molecular Weight1
- 400.98
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.9953 | Relay (1.0) Calculated Property | |
| ΔfG° | -145.05 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -886.87 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 62.11 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 109.34 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.33 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.50 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.795 | Crippen Calculated Property | |
| McVol | 339.360 | ml/mol | McGowan Calculated Property |
| Pc | 1035.90 | kPa | Joback Calculated Property |
| Inp | [2779.00; 2779.00] |
|
|
| Inp | 2779.00 | NIST | |
| Inp | 2779.00 | NIST | |
| Tboil | 635.95 | K | Relay (1.0) Calculated Property |
| Tc | 834.96 | K | Relay (1.0) Calculated Property |
| Tfus | 280.35 | K | Relay (1.0) Calculated Property |
| Vc | 1.233 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1070.96; 1155.05] | J/mol×K | [901.33; 1104.72] |
|
| Cp,gas | 1070.96 | J/mol×K | 901.33 | Joback Calculated Property |
| Cp,gas | 1087.96 | J/mol×K | 935.23 | Joback Calculated Property |
| Cp,gas | 1103.74 | J/mol×K | 969.13 | Joback Calculated Property |
| Cp,gas | 1118.31 | J/mol×K | 1003.03 | Joback Calculated Property |
| Cp,gas | 1131.70 | J/mol×K | 1036.92 | Joback Calculated Property |
| Cp,gas | 1143.94 | J/mol×K | 1070.82 | Joback Calculated Property |
| Cp,gas | 1155.05 | J/mol×K | 1104.72 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, 8-chlorooctyl non-5-yn-3-yl ester.
Sources
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