- InChI
- InChI=1S/C29H52O4/c1-5-7-9-10-11-12-13-14-15-16-17-18-19-24-32-28(30)22-20-23-29(31)33-27(21-8-6-2)25-26(3)4/h26-27H,5-7,9-20,22-25H2,1-4H3
- InChI Key
- JABXUBKZFJBFFS-UHFFFAOYSA-N
- Formula
- C29H52O4
- SMILES
-
CCC#CC(CC(C)C)OC(=O)CCCC(=O)OC
CCCCCCCCCCCCCC - 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 | 1.1622 | Relay (1.0) Calculated Property | |
| ΔfG° | -76.62 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -987.96 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 72.52 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 124.44 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.34 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.58 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.162 | Crippen Calculated Property | |
| McVol | 425.750 | ml/mol | McGowan Calculated Property |
| Pc | 717.22 | kPa | Joback Calculated Property |
| Inp | 3773.00 | NIST | |
| Tboil | 661.78 | K | Relay (1.0) Calculated Property |
| Tc | 849.04 | K | Relay (1.0) Calculated Property |
| Tfus | 296.17 | K | Relay (1.0) Calculated Property |
| Vc | 1.584 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1483.65; 1579.32] | J/mol×K | [1023.62; 1262.95] | 
|
| Cp,gas | 1483.65 | J/mol×K | 1023.62 | Joback Calculated Property |
| Cp,gas | 1504.30 | J/mol×K | 1063.51 | Joback Calculated Property |
| Cp,gas | 1522.97 | J/mol×K | 1103.40 | Joback Calculated Property |
| Cp,gas | 1539.74 | J/mol×K | 1143.28 | Joback Calculated Property |
| Cp,gas | 1554.68 | J/mol×K | 1183.17 | Joback Calculated Property |
| Cp,gas | 1567.84 | J/mol×K | 1223.06 | Joback Calculated Property |
| Cp,gas | 1579.32 | J/mol×K | 1262.95 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, 2-methyloct-5-yn-4-yl pentadecyl ester.
Sources
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