- InChI
- InChI=1S/C31H56O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-19-25-34-30(32)28-22-17-18-23-29(28)31(33)35-26-24-27-20-15-14-16-21-27/h27-29H,2-26H2,1H3
- InChI Key
- HBNCTFWCYBBOHZ-UHFFFAOYSA-N
- Formula
- C31H56O4
- SMILES
-
CCCCCCCCCCCCCCCOC(=O)C1CCCCC1C
(=O)OCCC1CCCCC1 - Molecular Weight1
- 492.78
- 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 | 1.1649 | Relay (1.0) Calculated Property | |
| ΔfG° | -369.41 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1216.26 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 69.53 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 141.10 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.79 | eV | Relay (1.0) Calculated Property |
| log10WS | -8.51 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.941 | Crippen Calculated Property | |
| McVol | 440.810 | ml/mol | McGowan Calculated Property |
| Pc | 689.98 | kPa | Joback Calculated Property |
| Inp | [3546.00; 3546.00] |
|
|
| Inp | 3546.00 | NIST | |
| Inp | 3546.00 | NIST | |
| Tboil | 723.90 | K | Relay (1.0) Calculated Property |
| Tc | 948.37 | K | Relay (1.0) Calculated Property |
| Tfus | 316.92 | K | Relay (1.0) Calculated Property |
| Vc | 1.635 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [621.81; 1611.68] | 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 | -9.97440e+01 | |||
| Coefficient B | 3.05692e+00 | |||
| Coefficient C | -1.58000e-03 | |||
| Coefficient D | 2.34500e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 621.81 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 794.36 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 949.54 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 1088.08 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 1210.74 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1318.26 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1411.36 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1490.81 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1557.33 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1611.68 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0004258; 0.0000191] | Pa×s | [534.31; 911.80] |
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 | -1.52659e+01 | |||
| Coefficient B | 4.00969e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 534.31 | |||
| Temperature range, max. | 911.80 | |||
| η | 0.0004258 | Pa×s | 534.31 | Calculated Property |
| η | 0.0002466 | Pa×s | 576.25 | Calculated Property |
| η | 0.0001538 | Pa×s | 618.20 | Calculated Property |
| η | 0.0001019 | Pa×s | 660.14 | Calculated Property |
| η | 0.0000709 | Pa×s | 702.08 | Calculated Property |
| η | 0.0000514 | Pa×s | 744.03 | Calculated Property |
| η | 0.0000385 | Pa×s | 785.97 | Calculated Property |
| η | 0.0000297 | Pa×s | 827.92 | Calculated Property |
| η | 0.0000236 | Pa×s | 869.86 | Calculated Property |
| η | 0.0000191 | Pa×s | 911.80 | Calculated Property |
Similar Compounds
Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, 2-cyclohexylethyl pentadecyl ester.
Sources
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