- InChI
- InChI=1S/C27H48O4/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-30-26(28)22-21-23-27(29)31-25(3)5-2/h2,25H,4,6-24H2,1,3H3
- InChI Key
- ZKXCFNDLGTVASS-UHFFFAOYSA-N
- Formula
- C27H48O4
- SMILES
-
C#CC(C)OC(=O)CCCC(=O)OCCCCCCCC
CCCCCCCCCC - Molecular Weight1
- 436.67
- 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 | 1.1670 | Relay (1.0) Calculated Property | |
| ΔfG° | -70.75 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -962.08 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 70.71 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 125.30 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.82 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.41 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.526 | Crippen Calculated Property | |
| McVol | 397.570 | ml/mol | McGowan Calculated Property |
| Pc | 788.16 | kPa | Joback Calculated Property |
| Inp | [2987.00; 2987.00] |
|
|
| Inp | 2987.00 | NIST | |
| Inp | 2987.00 | NIST | |
| Tboil | 667.59 | K | Relay (1.0) Calculated Property |
| Tc | 839.59 | K | Relay (1.0) Calculated Property |
| Tfus | 331.87 | K | Relay (1.0) Calculated Property |
| Vc | 1.498 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1347.70; 1447.43] | J/mol×K | [959.42; 1178.87] |
|
| Cp,gas | 1347.70 | J/mol×K | 959.42 | Joback Calculated Property |
| Cp,gas | 1368.05 | J/mol×K | 996.00 | Joback Calculated Property |
| Cp,gas | 1386.83 | J/mol×K | 1032.57 | Joback Calculated Property |
| Cp,gas | 1404.10 | J/mol×K | 1069.15 | Joback Calculated Property |
| Cp,gas | 1419.91 | J/mol×K | 1105.72 | Joback Calculated Property |
| Cp,gas | 1434.34 | J/mol×K | 1142.30 | Joback Calculated Property |
| Cp,gas | 1447.43 | J/mol×K | 1178.87 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, but-3-yn-2-yl octadecyl ester.
Sources
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