- InChI
- InChI=1S/C24H42O4/c1-2-3-4-5-6-12-18-27-23(25)21-15-10-11-16-22(21)24(26)28-19-17-20-13-8-7-9-14-20/h20-22H,2-19H2,1H3
- InChI Key
- ZYGQEESRISNOKD-UHFFFAOYSA-N
- Formula
- C24H42O4
- SMILES
-
CCCCCCCCOC(=O)C1CCCCC1C(=O)OCC
C1CCCCC1 - Molecular Weight1
- 394.59
- 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 | 0.9129 | Relay (1.0) Calculated Property | |
| ΔfG° | -428.35 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1073.98 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 51.39 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 113.13 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.56 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.31 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.210 | Crippen Calculated Property | |
| McVol | 342.180 | ml/mol | McGowan Calculated Property |
| Pc | 1017.48 | kPa | Joback Calculated Property |
| Inp | [2799.00; 2799.00] |
|
|
| Inp | 2799.00 | NIST | |
| Inp | 2799.00 | NIST | |
| Tboil | 678.13 | K | Relay (1.0) Calculated Property |
| Tc | 900.60 | K | Relay (1.0) Calculated Property |
| Tfus | 300.73 | K | Relay (1.0) Calculated Property |
| Vc | 1.258 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [473.31; 1250.54] | 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 | -9.33810e+01 | |||
| Coefficient B | 2.39192e+00 | |||
| Coefficient C | -1.19920e-03 | |||
| Coefficient D | 1.51200e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 473.31 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 609.43 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 731.99 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 841.48 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 938.36 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1023.13 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1096.25 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1158.21 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1209.48 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1250.54 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0011850; 0.0000566] | Pa×s | [455.42; 776.36] |
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 | -1.40951e+01 | |||
| Coefficient B | 3.35057e+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. | 455.42 | |||
| Temperature range, max. | 776.36 | |||
| η | 0.0011850 | Pa×s | 455.42 | Calculated Property |
| η | 0.0006945 | Pa×s | 491.08 | Calculated Property |
| η | 0.0004376 | Pa×s | 526.74 | Calculated Property |
| η | 0.0002924 | Pa×s | 562.40 | Calculated Property |
| η | 0.0002049 | Pa×s | 598.06 | Calculated Property |
| η | 0.0001495 | Pa×s | 633.72 | Calculated Property |
| η | 0.0001128 | Pa×s | 669.38 | Calculated Property |
| η | 0.0000876 | Pa×s | 705.04 | Calculated Property |
| η | 0.0000697 | Pa×s | 740.70 | Calculated Property |
| η | 0.0000566 | Pa×s | 776.36 | Calculated Property |
Similar Compounds
Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, 2-cyclohexylethyl octyl ester.
Sources
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