- InChI
- InChI=1S/C17H28O4/c1-6-10-14(7-2)20-16(18)11-9-12-17(19)21-15(8-3)13(4)5/h13-15H,7-9,11-12H2,1-5H3
- InChI Key
- OCECDTNXXDQLCB-UHFFFAOYSA-N
- Formula
- C17H28O4
- SMILES
-
CC#CC(CC)OC(=O)CCCC(=O)OC(CC)C
(C)C - Molecular Weight1
- 296.40
- 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 | 0.7066 | Relay (1.0) Calculated Property | |
| ΔfG° | -180.10 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -761.05 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 37.91 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 81.75 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.14 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.46 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.480 | Crippen Calculated Property | |
| McVol | 256.670 | ml/mol | McGowan Calculated Property |
| Pc | 1509.33 | kPa | Joback Calculated Property |
| Inp | [1886.00; 1886.00] |
|
|
| Inp | 1886.00 | NIST | |
| Inp | 1886.00 | NIST | |
| Tboil | 566.43 | K | Relay (1.0) Calculated Property |
| Tc | 748.49 | K | Relay (1.0) Calculated Property |
| Tfus | 277.89 | K | Relay (1.0) Calculated Property |
| Vc | 0.913 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [746.01; 833.29] | J/mol×K | [748.62; 944.19] |
|
| Cp,gas | 746.01 | J/mol×K | 748.62 | Joback Calculated Property |
| Cp,gas | 762.99 | J/mol×K | 781.21 | Joback Calculated Property |
| Cp,gas | 778.98 | J/mol×K | 813.81 | Joback Calculated Property |
| Cp,gas | 794.00 | J/mol×K | 846.40 | Joback Calculated Property |
| Cp,gas | 808.06 | J/mol×K | 879.00 | Joback Calculated Property |
| Cp,gas | 821.15 | J/mol×K | 911.59 | Joback Calculated Property |
| Cp,gas | 833.29 | J/mol×K | 944.19 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, hex-4-yn-3-yl 2-methylpent-3-yl ester.
Sources
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