- InChI
- InChI=1S/C24H42O4/c1-5-7-15-19-27-23(25)17-13-11-9-10-12-14-18-24(26)28-22(16-8-6-2)20-21(3)4/h21-22H,5-7,9-15,17-20H2,1-4H3
- InChI Key
- MVZSWVXKWIIMOW-UHFFFAOYSA-N
- Formula
- C24H42O4
- SMILES
-
CCC#CC(CC(C)C)OC(=O)CCCCCCCCC(
=O)OCCCCC - Molecular Weight1
- 394.59
- 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 | 0.9881 | Relay (1.0) Calculated Property | |
| ΔfG° | -118.72 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -883.71 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 59.57 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 104.23 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.11 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.92 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.212 | Crippen Calculated Property | |
| McVol | 355.300 | ml/mol | McGowan Calculated Property |
| Pc | 944.42 | kPa | Joback Calculated Property |
| Inp | [2605.00; 2605.00] |
|
|
| Inp | 2605.00 | NIST | |
| Inp | 2605.00 | NIST | |
| Tboil | 621.23 | K | Relay (1.0) Calculated Property |
| Tc | 809.35 | K | Relay (1.0) Calculated Property |
| Tfus | 271.14 | K | Relay (1.0) Calculated Property |
| Vc | 1.310 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1165.63; 1258.12] | J/mol×K | [909.22; 1113.45] |
|
| Cp,gas | 1165.63 | J/mol×K | 909.22 | Joback Calculated Property |
| Cp,gas | 1184.33 | J/mol×K | 943.26 | Joback Calculated Property |
| Cp,gas | 1201.67 | J/mol×K | 977.30 | Joback Calculated Property |
| Cp,gas | 1217.69 | J/mol×K | 1011.34 | Joback Calculated Property |
| Cp,gas | 1232.42 | J/mol×K | 1045.37 | Joback Calculated Property |
| Cp,gas | 1245.89 | J/mol×K | 1079.41 | Joback Calculated Property |
| Cp,gas | 1258.12 | J/mol×K | 1113.45 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sebacic acid, 2-methyloct-5-yn-4-yl pentyl ester.
Sources
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