- InChI
- InChI=1S/C23H42O4/c1-3-5-7-8-13-17-21-27-23(25)19-15-12-10-9-11-14-18-22(24)26-20-16-6-4-2/h4H,2-3,5-21H2,1H3
- InChI Key
- MIAVDUGNLUNDMI-UHFFFAOYSA-N
- Formula
- C23H42O4
- SMILES
-
C=CCCCOC(=O)CCCCCCCCC(=O)OCCCC
CCCC - Molecular Weight1
- 382.58
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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 | 1.1092 | Relay (1.0) Calculated Property | |
| ΔfG° | -390.12 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1032.41 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 62.78 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 109.36 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.43 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.85 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.520 | Crippen Calculated Property | |
| McVol | 345.510 | ml/mol | McGowan Calculated Property |
| Pc | 878.44 | kPa | Joback Calculated Property |
| Inp | [2675.00; 2675.00] |
|
|
| Inp | 2675.00 | NIST | |
| Inp | 2675.00 | NIST | |
| Tboil | 657.35 | K | Relay (1.0) Calculated Property |
| Tc | 813.90 | K | Relay (1.0) Calculated Property |
| Tfus | 283.57 | K | Relay (1.0) Calculated Property |
| Vc | 1.316 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1108.40; 1205.02] | J/mol×K | [838.96; 1027.20] |
|
| Cp,gas | 1108.40 | J/mol×K | 838.96 | Joback Calculated Property |
| Cp,gas | 1127.49 | J/mol×K | 870.33 | Joback Calculated Property |
| Cp,gas | 1145.35 | J/mol×K | 901.71 | Joback Calculated Property |
| Cp,gas | 1162.00 | J/mol×K | 933.08 | Joback Calculated Property |
| Cp,gas | 1177.48 | J/mol×K | 964.45 | Joback Calculated Property |
| Cp,gas | 1191.81 | J/mol×K | 995.83 | Joback Calculated Property |
| Cp,gas | 1205.02 | J/mol×K | 1027.20 | Joback Calculated Property |
| η | [0.0000285; 0.0010265] | Pa×s | [431.87; 838.96] |
|
| η | 0.0010265 | Pa×s | 431.87 | Joback Calculated Property |
| η | 0.0003765 | Pa×s | 499.72 | Joback Calculated Property |
| η | 0.0001755 | Pa×s | 567.57 | Joback Calculated Property |
| η | 0.0000963 | Pa×s | 635.41 | Joback Calculated Property |
| η | 0.0000593 | Pa×s | 703.26 | Joback Calculated Property |
| η | 0.0000398 | Pa×s | 771.11 | Joback Calculated Property |
| η | 0.0000285 | Pa×s | 838.96 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sebacic acid, octyl pent-4-enyl ester.
Sources
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