- InChI
- InChI=1S/C27H50O4/c1-3-5-7-9-13-17-21-25-31-27(29)23-19-15-12-11-14-18-22-26(28)30-24-20-16-10-8-6-4-2/h13,17H,3-12,14-16,18-25H2,1-2H3/b17-13-
- InChI Key
- AKEVBNGNJNFQRG-LGMDPLHJSA-N
- Formula
- C27H50O4
- SMILES
-
CCCCCC=CCCOC(=O)CCCCCCCCC(=O)O
CCCCCCCC - Molecular Weight1
- 438.68
- 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 | 1.2081 | Relay (... Calculated Property | |
| ΔfG° | -211.16 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1139.55 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 71.46 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 123.46 | kJ/mol | Relay (... Calculated Property |
| IE | 8.98 | eV | Relay (... Calculated Property |
| log10WS | -7.06 | Relay (... Calculated Property | |
| logPoct/wat | 8.081 | Crippen Calculated Property | |
| McVol | 401.870 | ml/mol | McGowan Calculated Property |
| Pc | 744.07 | kPa | Joback Calculated Property |
| Inp | [3067.00; 3067.00] |
|
|
| Inp | 3067.00 | NIST | |
| Inp | 3067.00 | NIST | |
| Tboil | 661.83 | K | Relay (... Calculated Property |
| Tc | 835.02 | K | Relay (... Calculated Property |
| Tfus | 277.50 | K | Relay (... Calculated Property |
| Vc | 1.529 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1381.80; 1487.25] | J/mol×K | [973.90; 1201.27] |
|
| Cp,gas | 1381.80 | J/mol×K | 973.90 | Joback Calculated Property |
| Cp,gas | 1403.23 | J/mol×K | 1011.80 | Joback Calculated Property |
| Cp,gas | 1423.02 | J/mol×K | 1049.69 | Joback Calculated Property |
| Cp,gas | 1441.24 | J/mol×K | 1087.59 | Joback Calculated Property |
| Cp,gas | 1457.97 | J/mol×K | 1125.48 | Joback Calculated Property |
| Cp,gas | 1473.28 | J/mol×K | 1163.38 | Joback Calculated Property |
| Cp,gas | 1487.25 | J/mol×K | 1201.27 | Joback Calculated Property |
| η | [0.0000162; 0.0003337] | Pa×s | [533.29; 973.90] |
|
| η | 0.0003337 | Pa×s | 533.29 | Joback Calculated Property |
| η | 0.0001486 | Pa×s | 606.72 | Joback Calculated Property |
| η | 0.0000788 | Pa×s | 680.16 | Joback Calculated Property |
| η | 0.0000473 | Pa×s | 753.60 | Joback Calculated Property |
| η | 0.0000310 | Pa×s | 827.03 | Joback Calculated Property |
| η | 0.0000218 | Pa×s | 900.46 | Joback Calculated Property |
| η | 0.0000162 | Pa×s | 973.90 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sebacic acid, cis-non-3-enyl octyl ester.
Sources
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