- InChI
- InChI=1S/C29H52O4/c1-3-5-7-9-10-11-12-15-19-23-27-33-29(31)25-21-17-14-13-16-20-24-28(30)32-26-22-18-8-6-4-2/h3-4,6,8-27H2,1-2H3
- InChI Key
- ZSEOPPCOQRIJIR-UHFFFAOYSA-N
- Formula
- C29H52O4
- SMILES
-
CCC#CCCCCCCCCOC(=O)CCCCCCCCC(=
O)OCCCCCCC - 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 | 1.2460 | Relay (1.0) Calculated Property | |
| ΔfG° | -71.74 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -995.89 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 79.56 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 130.27 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.23 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.40 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.308 | Crippen Calculated Property | |
| McVol | 425.750 | ml/mol | McGowan Calculated Property |
| Pc | 711.11 | kPa | Joback Calculated Property |
| Inp | 3325.00 | NIST | |
| Tboil | 669.05 | K | Relay (1.0) Calculated Property |
| Tc | 860.17 | K | Relay (1.0) Calculated Property |
| Tfus | 314.37 | K | Relay (1.0) Calculated Property |
| Vc | 1.617 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1483.15; 1581.33] | J/mol×K | [1024.50; 1267.99] | 
|
| Cp,gas | 1483.15 | J/mol×K | 1024.50 | Joback Calculated Property |
| Cp,gas | 1504.29 | J/mol×K | 1065.08 | Joback Calculated Property |
| Cp,gas | 1523.43 | J/mol×K | 1105.66 | Joback Calculated Property |
| Cp,gas | 1540.62 | J/mol×K | 1146.25 | Joback Calculated Property |
| Cp,gas | 1555.95 | J/mol×K | 1186.83 | Joback Calculated Property |
| Cp,gas | 1569.50 | J/mol×K | 1227.41 | Joback Calculated Property |
| Cp,gas | 1581.33 | J/mol×K | 1267.99 | Joback Calculated Property |
Similar Compounds
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Sources
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