- InChI
- InChI=1S/C23H44O4/c1-4-5-6-11-14-19-26-22(24)17-12-9-7-8-10-13-18-23(25)27-20-15-16-21(2)3/h21H,4-20H2,1-3H3
- InChI Key
- MBUYCEOISVFTQH-UHFFFAOYSA-N
- Formula
- C23H44O4
- SMILES
-
CCCCCCCOC(=O)CCCCCCCCC(=O)OCCC
C(C)C - Molecular Weight1
- 384.59
- 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 | 1.1182 | Relay (1.0) Calculated Property | |
| ΔfG° | -480.40 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1144.87 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 60.54 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 107.13 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.54 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.03 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.600 | Crippen Calculated Property | |
| McVol | 349.810 | ml/mol | McGowan Calculated Property |
| Pc | 861.00 | kPa | Joback Calculated Property |
| Inp | 2678.00 | NIST | |
| Tboil | 632.22 | K | Relay (1.0) Calculated Property |
| Tc | 804.11 | K | Relay (1.0) Calculated Property |
| Tfus | 277.44 | K | Relay (1.0) Calculated Property |
| Vc | 1.351 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [525.76; 1222.68] | 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 | 3.11170e+01 | |||
| Coefficient B | 2.08516e+00 | |||
| Coefficient C | -1.04140e-03 | |||
| Coefficient D | 1.47800e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 525.76 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 645.00 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 752.71 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 849.33 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 935.35 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1011.23 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1077.43 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1134.43 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1182.69 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1222.68 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0012713; 0.0000468] | Pa×s | [418.63; 721.49] |
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 | -1.45348e+01 | |||
| Coefficient B | 3.29338e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 418.63 | |||
| Temperature range, max. | 721.49 | |||
| η | 0.0012713 | Pa×s | 418.63 | Calculated Property |
| η | 0.0007080 | Pa×s | 452.28 | Calculated Property |
| η | 0.0004276 | Pa×s | 485.93 | Calculated Property |
| η | 0.0002757 | Pa×s | 519.58 | Calculated Property |
| η | 0.0001875 | Pa×s | 553.23 | Calculated Property |
| η | 0.0001333 | Pa×s | 586.88 | Calculated Property |
| η | 0.0000983 | Pa×s | 620.54 | Calculated Property |
| η | 0.0000748 | Pa×s | 654.19 | Calculated Property |
| η | 0.0000585 | Pa×s | 687.84 | Calculated Property |
| η | 0.0000468 | Pa×s | 721.49 | Calculated Property |
Similar Compounds
Find more compounds similar to Sebacic acid, heptyl isohexyl ester.
Sources
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