- InChI
- InChI=1S/C18H30O4/c1-4-7-8-9-10-15-21-17(19)13-11-14-18(20)22-16(6-3)12-5-2/h16H,4,6-11,13-15H2,1-3H3
- InChI Key
- WGVPFVUSRSAQBQ-UHFFFAOYSA-N
- Formula
- C18H30O4
- SMILES
-
CC#CC(CC)OC(=O)CCCC(=O)OCCCCCC
C - Molecular Weight1
- 310.43
- 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 | 0.8216 | Relay (1.0) Calculated Property | |
| ΔfG° | -166.80 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -758.29 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 47.55 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 87.70 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.12 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.26 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.015 | Crippen Calculated Property | |
| McVol | 270.760 | ml/mol | McGowan Calculated Property |
| Pc | 1386.08 | kPa | Joback Calculated Property |
| Inp | [2153.00; 2153.00] |
|
|
| Inp | 2153.00 | NIST | |
| Inp | 2153.00 | NIST | |
| Tboil | 586.10 | K | Relay (1.0) Calculated Property |
| Tc | 771.46 | K | Relay (1.0) Calculated Property |
| Tfus | 285.58 | K | Relay (1.0) Calculated Property |
| Vc | 0.994 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [802.48; 889.39] | J/mol×K | [772.38; 962.93] |
|
| Cp,gas | 802.48 | J/mol×K | 772.38 | Joback Calculated Property |
| Cp,gas | 819.34 | J/mol×K | 804.14 | Joback Calculated Property |
| Cp,gas | 835.23 | J/mol×K | 835.90 | Joback Calculated Property |
| Cp,gas | 850.17 | J/mol×K | 867.65 | Joback Calculated Property |
| Cp,gas | 864.17 | J/mol×K | 899.41 | Joback Calculated Property |
| Cp,gas | 877.24 | J/mol×K | 931.17 | Joback Calculated Property |
| Cp,gas | 889.39 | J/mol×K | 962.93 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, heptyl hex-4-yn-3-yl ester.
Sources
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