- InChI
- InChI=1S/C23H40O4/c1-2-3-4-5-11-17-26-22(24)20-14-9-10-15-21(20)23(25)27-18-16-19-12-7-6-8-13-19/h19-21H,2-18H2,1H3
- InChI Key
- WVUPCHNXKOTUKJ-UHFFFAOYSA-N
- Formula
- C23H40O4
- SMILES
-
CCCCCCCOC(=O)C1CCCCC1C(=O)OCCC
1CCCCC1 - Molecular Weight1
- 380.56
- 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 | 0.8750 | Relay (1.0) Calculated Property | |
| ΔfG° | -436.77 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1054.09 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 48.80 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 109.62 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.55 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.98 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.820 | Crippen Calculated Property | |
| McVol | 328.090 | ml/mol | McGowan Calculated Property |
| Pc | 1082.78 | kPa | Joback Calculated Property |
| Inp | [2699.00; 2699.00] |
|
|
| Inp | 2699.00 | NIST | |
| Inp | 2699.00 | NIST | |
| Tboil | 671.37 | K | Relay (1.0) Calculated Property |
| Tc | 893.10 | K | Relay (1.0) Calculated Property |
| Tfus | 298.10 | K | Relay (1.0) Calculated Property |
| Vc | 1.204 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [452.10; 1198.95] | 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 | -9.24720e+01 | |||
| Coefficient B | 2.29692e+00 | |||
| Coefficient C | -1.14480e-03 | |||
| Coefficient D | 1.39300e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 452.10 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 583.01 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 700.92 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 806.25 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 899.45 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 980.97 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1051.23 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1110.69 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1159.78 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1198.95 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0013596; 0.0000647] | Pa×s | [444.15; 759.62] |
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 | -1.39323e+01 | |||
| Coefficient B | 3.25641e+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. | 444.15 | |||
| Temperature range, max. | 759.62 | |||
| η | 0.0013596 | Pa×s | 444.15 | Calculated Property |
| η | 0.0007952 | Pa×s | 479.20 | Calculated Property |
| η | 0.0005004 | Pa×s | 514.26 | Calculated Property |
| η | 0.0003341 | Pa×s | 549.31 | Calculated Property |
| η | 0.0002341 | Pa×s | 584.36 | Calculated Property |
| η | 0.0001708 | Pa×s | 619.41 | Calculated Property |
| η | 0.0001289 | Pa×s | 654.47 | Calculated Property |
| η | 0.0001001 | Pa×s | 689.52 | Calculated Property |
| η | 0.0000796 | Pa×s | 724.57 | Calculated Property |
| η | 0.0000647 | Pa×s | 759.62 | Calculated Property |
Similar Compounds
Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, 2-cyclohexylethyl heptyl ester.
Sources
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