- InChI
- InChI=1S/C20H34O4/c1-2-3-14-23-19(21)17-11-7-8-12-18(17)20(22)24-15-13-16-9-5-4-6-10-16/h16-18H,2-15H2,1H3
- InChI Key
- FSAPWUZNEKMZSJ-UHFFFAOYSA-N
- Formula
- C20H34O4
- SMILES
-
CCCCOC(=O)C1CCCCC1C(=O)OCCC1CC
CCC1 - Molecular Weight1
- 338.48
- 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 | 0.7578 | Relay (1.0) Calculated Property | |
| ΔfG° | -462.03 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -996.47 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 41.03 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 100.08 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.48 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.02 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.650 | Crippen Calculated Property | |
| McVol | 285.820 | ml/mol | McGowan Calculated Property |
| Pc | 1321.35 | kPa | Joback Calculated Property |
| Inp | [2402.00; 2402.00] |
|
|
| Inp | 2402.00 | NIST | |
| Inp | 2402.00 | NIST | |
| Tboil | 648.36 | K | Relay (1.0) Calculated Property |
| Tc | 867.05 | K | Relay (1.0) Calculated Property |
| Tfus | 287.11 | K | Relay (1.0) Calculated Property |
| Vc | 1.041 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [388.46; 1044.17] | 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 | -8.97450e+01 | |||
| Coefficient B | 2.01192e+00 | |||
| Coefficient C | -9.81600e-04 | |||
| Coefficient D | 1.03600e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 388.46 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 503.76 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 607.68 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 700.56 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 782.72 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 854.48 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 916.18 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 968.15 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1010.70 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1044.17 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0020192; 0.0000934] | Pa×s | [410.34; 712.43] |
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 | -1.34525e+01 | |||
| Coefficient B | 2.97393e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 410.34 | |||
| Temperature range, max. | 712.43 | |||
| η | 0.0020192 | Pa×s | 410.34 | Calculated Property |
| η | 0.0011673 | Pa×s | 443.91 | Calculated Property |
| η | 0.0007289 | Pa×s | 477.47 | Calculated Property |
| η | 0.0004842 | Pa×s | 511.04 | Calculated Property |
| η | 0.0003382 | Pa×s | 544.60 | Calculated Property |
| η | 0.0002463 | Pa×s | 578.17 | Calculated Property |
| η | 0.0001858 | Pa×s | 611.73 | Calculated Property |
| η | 0.0001443 | Pa×s | 645.30 | Calculated Property |
| η | 0.0001149 | Pa×s | 678.86 | Calculated Property |
| η | 0.0000934 | Pa×s | 712.43 | Calculated Property |
Similar Compounds
Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, butyl 2-cyclohexylethyl ester.
Sources
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