- InChI
- InChI=1S/C17H28O4/c1-5-8-9-11-15(7-3)21-17(19)13-10-12-16(18)20-14(4)6-2/h2,14-15H,5,7-13H2,1,3-4H3
- InChI Key
- JCRLECCFOTZASL-UHFFFAOYSA-N
- Formula
- C17H28O4
- SMILES
-
C#CC(C)OC(=O)CCCC(=O)OC(CC)CCC
CC - 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 | 0.7577 | Relay (... Calculated Property | |
| ΔfG° | -157.39 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -775.71 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 41.29 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 84.13 | kJ/mol | Relay (... Calculated Property |
| IE | 9.56 | eV | Relay (... Calculated Property |
| log10WS | -3.86 | Relay (... Calculated Property | |
| logPoct/wat | 3.624 | Crippen Calculated Property | |
| McVol | 256.670 | ml/mol | McGowan Calculated Property |
| Pc | 1486.14 | kPa | Joback Calculated Property |
| Inp | [1815.00; 1815.00] |
|
|
| Inp | 1815.00 | NIST | |
| Inp | 1815.00 | NIST | |
| Tboil | 572.65 | K | Relay (... Calculated Property |
| Tc | 743.01 | K | Relay (... Calculated Property |
| Tfus | 274.59 | K | Relay (... Calculated Property |
| Vc | 0.930 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [740.63; 826.18] | J/mol×K | [730.18; 916.54] |
|
| Cp,gas | 740.63 | J/mol×K | 730.18 | Joback Calculated Property |
| Cp,gas | 757.06 | J/mol×K | 761.24 | Joback Calculated Property |
| Cp,gas | 772.60 | J/mol×K | 792.30 | Joback Calculated Property |
| Cp,gas | 787.27 | J/mol×K | 823.36 | Joback Calculated Property |
| Cp,gas | 801.08 | J/mol×K | 854.42 | Joback Calculated Property |
| Cp,gas | 814.04 | J/mol×K | 885.48 | Joback Calculated Property |
| Cp,gas | 826.18 | J/mol×K | 916.54 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, but-3-yn-2-yl 3-octyl ester.
Sources
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