- InChI
- InChI=1S/C24H42O4/c1-3-5-7-9-10-11-12-13-14-15-17-22-28-24(26)20-18-19-23(25)27-21-16-8-6-4-2/h3-14,16,18-22H2,1-2H3
- InChI Key
- ZILRHCLOCARFBA-UHFFFAOYSA-N
- Formula
- C24H42O4
- SMILES
-
CCCCCCCCCCC#CCOC(=O)CCCC(=O)OC
CCCCC - Molecular Weight1
- 394.59
- 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 | 1.0758 | Relay (... Calculated Property | |
| ΔfG° | -113.84 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -874.81 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 66.61 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 112.47 | kJ/mol | Relay (... Calculated Property |
| IE | 9.28 | eV | Relay (... Calculated Property |
| log10WS | -6.42 | Relay (... Calculated Property | |
| logPoct/wat | 6.358 | Crippen Calculated Property | |
| McVol | 355.300 | ml/mol | McGowan Calculated Property |
| Pc | 935.20 | kPa | Joback Calculated Property |
| Inp | [2817.00; 2817.00] |
|
|
| Inp | 2817.00 | NIST | |
| Inp | 2817.00 | NIST | |
| Tboil | 638.88 | K | Relay (... Calculated Property |
| Tc | 826.51 | K | Relay (... Calculated Property |
| Tfus | 292.24 | K | Relay (... Calculated Property |
| Vc | 1.339 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1164.77; 1257.88] | J/mol×K | [910.10; 1114.22] |
|
| Cp,gas | 1164.77 | J/mol×K | 910.10 | Joback Calculated Property |
| Cp,gas | 1183.51 | J/mol×K | 944.12 | Joback Calculated Property |
| Cp,gas | 1200.93 | J/mol×K | 978.14 | Joback Calculated Property |
| Cp,gas | 1217.04 | J/mol×K | 1012.16 | Joback Calculated Property |
| Cp,gas | 1231.88 | J/mol×K | 1046.18 | Joback Calculated Property |
| Cp,gas | 1245.49 | J/mol×K | 1080.20 | Joback Calculated Property |
| Cp,gas | 1257.88 | J/mol×K | 1114.22 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, hexyl tridec-2-ynyl ester.
Sources
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