- InChI
- InChI=1S/C31H60O4/c1-4-5-6-7-8-9-10-11-12-13-16-19-22-27-34-30(32)25-20-17-14-15-18-21-26-31(33)35-28-23-24-29(2)3/h29H,4-28H2,1-3H3
- InChI Key
- SXCFJIMEBCSUQV-UHFFFAOYSA-N
- Formula
- C31H60O4
- SMILES
-
CCCCCCCCCCCCCCCOC(=O)CCCCCCCCC
(=O)OCCCC(C)C - Molecular Weight1
- 496.82
- 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 | 1.3994 | Relay (1.0) Calculated Property | |
| ΔfG° | -413.04 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1303.42 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 81.26 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 138.50 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.79 | eV | Relay (1.0) Calculated Property |
| log10WS | -8.64 | Relay (1.0) Calculated Property | |
| logPoct/wat | 9.721 | Crippen Calculated Property | |
| McVol | 462.530 | ml/mol | McGowan Calculated Property |
| Pc | 573.43 | kPa | Joback Calculated Property |
| Inp | [3513.00; 3513.00] |
|
|
| Inp | 3513.00 | NIST | |
| Inp | 3513.00 | NIST | |
| Tboil | 684.51 | K | Relay (1.0) Calculated Property |
| Tc | 856.86 | K | Relay (1.0) Calculated Property |
| Tfus | 304.95 | K | Relay (1.0) Calculated Property |
| Vc | 1.792 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [695.47; 1635.40] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 2.38450e+01 | |||
| Coefficient B | 2.84516e+00 | |||
| Coefficient C | -1.47660e-03 | |||
| Coefficient D | 2.43000e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 695.47 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 856.35 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 1001.33 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 1131.17 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 1246.64 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1348.52 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1437.56 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1514.55 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1580.24 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1635.40 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0003644; 0.0000114] | Pa×s | [508.79; 901.49] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.58708e+01 | |||
| Coefficient B | 4.04666e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 508.79 | |||
| Temperature range, max. | 901.49 | |||
| η | 0.0003644 | Pa×s | 508.79 | Calculated Property |
| η | 0.0001944 | Pa×s | 552.42 | Calculated Property |
| η | 0.0001137 | Pa×s | 596.06 | Calculated Property |
| η | 0.0000716 | Pa×s | 639.69 | Calculated Property |
| η | 0.0000478 | Pa×s | 683.32 | Calculated Property |
| η | 0.0000335 | Pa×s | 726.96 | Calculated Property |
| η | 0.0000244 | Pa×s | 770.59 | Calculated Property |
| η | 0.0000184 | Pa×s | 814.22 | Calculated Property |
| η | 0.0000143 | Pa×s | 857.86 | Calculated Property |
| η | 0.0000114 | Pa×s | 901.49 | Calculated Property |
Similar Compounds
Find more compounds similar to Sebacic acid, isohexyl pentadecyl ester.
Sources
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