- InChI
- InChI=1S/C29H52O4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-26-32-28(30)24-22-25-29(31)33-27(6-3)23-5-2/h27H,4,6-22,24-26H2,1-3H3
- InChI Key
- XZTFFKSJRJTTGI-UHFFFAOYSA-N
- Formula
- C29H52O4
- SMILES
-
CC#CC(CC)OC(=O)CCCC(=O)OCCCCCC
CCCCCCCCCCCC - Molecular Weight1
- 464.72
- 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 | 1.2126 | Relay (1.0) Calculated Property | |
| ΔfG° | -74.18 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -985.73 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 76.04 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 130.04 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.41 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.84 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.306 | Crippen Calculated Property | |
| McVol | 425.750 | ml/mol | McGowan Calculated Property |
| Pc | 714.15 | kPa | Joback Calculated Property |
| Inp | 3284.00 | NIST | |
| Tboil | 666.80 | K | Relay (1.0) Calculated Property |
| Tc | 858.55 | K | Relay (1.0) Calculated Property |
| Tfus | 328.51 | K | Relay (1.0) Calculated Property |
| Vc | 1.598 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1483.40; 1580.29] | J/mol×K | [1024.06; 1265.38] | 
|
| Cp,gas | 1483.40 | J/mol×K | 1024.06 | Joback Calculated Property |
| Cp,gas | 1504.29 | J/mol×K | 1064.28 | Joback Calculated Property |
| Cp,gas | 1523.18 | J/mol×K | 1104.50 | Joback Calculated Property |
| Cp,gas | 1540.16 | J/mol×K | 1144.72 | Joback Calculated Property |
| Cp,gas | 1555.29 | J/mol×K | 1184.94 | Joback Calculated Property |
| Cp,gas | 1568.64 | J/mol×K | 1225.16 | Joback Calculated Property |
| Cp,gas | 1580.29 | J/mol×K | 1265.38 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, hex-4-yn-3-yl octadecyl ester.
Sources
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