- InChI
- InChI=1S/C28H50O4/c1-3-5-7-8-9-10-11-12-15-18-22-26-32-28(30)24-20-17-14-13-16-19-23-27(29)31-25-21-6-4-2/h3-17,19-21,23-26H2,1-2H3
- InChI Key
- GNRDJCYEHCSQOM-UHFFFAOYSA-N
- Formula
- C28H50O4
- SMILES
-
CCCCCCCCCCC#CCOC(=O)CCCCCCCCC(
=O)OCCCCC - Molecular Weight1
- 450.69
- 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 | 1.2184 | Relay (1.0) Calculated Property | |
| ΔfG° | -80.16 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -958.64 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 76.97 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 127.81 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.32 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.62 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.918 | Crippen Calculated Property | |
| McVol | 411.660 | ml/mol | McGowan Calculated Property |
| Pc | 748.97 | kPa | Joback Calculated Property |
| Inp | 3213.00 | NIST | |
| Tboil | 660.02 | K | Relay (1.0) Calculated Property |
| Tc | 851.25 | K | Relay (1.0) Calculated Property |
| Tfus | 307.73 | K | Relay (1.0) Calculated Property |
| Vc | 1.560 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1418.69; 1515.92] | J/mol×K | [1001.62; 1234.79] | 
|
| Cp,gas | 1418.69 | J/mol×K | 1001.62 | Joback Calculated Property |
| Cp,gas | 1439.27 | J/mol×K | 1040.48 | Joback Calculated Property |
| Cp,gas | 1458.03 | J/mol×K | 1079.34 | Joback Calculated Property |
| Cp,gas | 1475.00 | J/mol×K | 1118.21 | Joback Calculated Property |
| Cp,gas | 1490.27 | J/mol×K | 1157.07 | Joback Calculated Property |
| Cp,gas | 1503.89 | J/mol×K | 1195.93 | Joback Calculated Property |
| Cp,gas | 1515.92 | J/mol×K | 1234.79 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sebacic acid, pentyl tridec-2-ynyl ester.
Sources
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