- InChI
- InChI=1S/C30H46O4/c1-2-3-4-17-24-33-29(31)22-15-7-5-6-8-16-23-30(32)34-28(27-20-13-10-14-21-27)25-26-18-11-9-12-19-26/h10-11,13-14,18,20-21,26,28H,2-9,12,15-17,19,22-25H2,1H3
- InChI Key
- KBCSUJOXIGHJPX-UHFFFAOYSA-N
- Formula
- C30H46O4
- SMILES
-
CCCCCCOC(=O)CCCCCCCCC(=O)OC(CC
1C=CCCC1)c1ccccc1 - Molecular Weight1
- 470.68
- 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 | 1.1266 | Relay (1.0) Calculated Property | |
| ΔfG° | -101.74 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -926.76 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 62.60 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 131.61 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.50 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.74 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.262 | Crippen Calculated Property | |
| McVol | 409.520 | ml/mol | McGowan Calculated Property |
| Pc | 851.97 | kPa | Joback Calculated Property |
| Inp | 3490.00 | NIST | |
| Tboil | 713.62 | K | Relay (1.0) Calculated Property |
| Tc | 925.36 | K | Relay (1.0) Calculated Property |
| Tfus | 297.43 | K | Relay (1.0) Calculated Property |
| Vc | 1.490 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1457.66; 1528.39] | J/mol×K | [1083.33; 1328.42] | 
|
| Cp,gas | 1457.66 | J/mol×K | 1083.33 | Joback Calculated Property |
| Cp,gas | 1473.98 | J/mol×K | 1124.18 | Joback Calculated Property |
| Cp,gas | 1488.35 | J/mol×K | 1165.03 | Joback Calculated Property |
| Cp,gas | 1500.87 | J/mol×K | 1205.87 | Joback Calculated Property |
| Cp,gas | 1511.64 | J/mol×K | 1246.72 | Joback Calculated Property |
| Cp,gas | 1520.78 | J/mol×K | 1287.57 | Joback Calculated Property |
| Cp,gas | 1528.39 | J/mol×K | 1328.42 | Joback Calculated Property |
| η | [0.0000122; 0.0002558] | Pa×s | [591.74; 1083.33] |
|
| η | 0.0002558 | Pa×s | 591.74 | Joback Calculated Property |
| η | 0.0001131 | Pa×s | 673.67 | Joback Calculated Property |
| η | 0.0000597 | Pa×s | 755.60 | Joback Calculated Property |
| η | 0.0000357 | Pa×s | 837.53 | Joback Calculated Property |
| η | 0.0000234 | Pa×s | 919.47 | Joback Calculated Property |
| η | 0.0000164 | Pa×s | 1001.40 | Joback Calculated Property |
| η | 0.0000122 | Pa×s | 1083.33 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sebacic acid, (2-(cyclohexenyl-3)-1-phenyl)ethyl hexyl ester.
Sources
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