- InChI
- InChI=1S/C19H32O4/c1-2-13-22-18(20)16-10-6-7-11-17(16)19(21)23-14-12-15-8-4-3-5-9-15/h15-17H,2-14H2,1H3
- InChI Key
- NIDOISHTNFWTJA-UHFFFAOYSA-N
- Formula
- C19H32O4
- SMILES
-
CCCOC(=O)C1CCCCC1C(=O)OCCC1CCC
CC1 - Molecular Weight1
- 324.45
- 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 | 0.7174 | Relay (1.0) Calculated Property | |
| ΔfG° | -470.45 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -975.95 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 38.45 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 95.31 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.49 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.81 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.260 | Crippen Calculated Property | |
| McVol | 271.730 | ml/mol | McGowan Calculated Property |
| Pc | 1418.64 | kPa | Joback Calculated Property |
| Inp | [2306.00; 2306.00] |
|
|
| Inp | 2306.00 | NIST | |
| Inp | 2306.00 | NIST | |
| Tboil | 642.66 | K | Relay (1.0) Calculated Property |
| Tc | 857.25 | K | Relay (1.0) Calculated Property |
| Tfus | 296.07 | K | Relay (1.0) Calculated Property |
| Vc | 0.987 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [367.25; 992.58] | 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 | -8.88360e+01 | |||
| Coefficient B | 1.91692e+00 | |||
| Coefficient C | -9.27200e-04 | |||
| Coefficient D | 9.17000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 367.25 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 477.34 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 576.61 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 665.33 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 743.81 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 812.32 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 871.17 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 920.63 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 961.01 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 992.58 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0022890; 0.0001044] | Pa×s | [399.07; 697.59] |
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 | -1.32958e+01 | |||
| Coefficient B | 2.87977e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 399.07 | |||
| Temperature range, max. | 697.59 | |||
| η | 0.0022890 | Pa×s | 399.07 | Calculated Property |
| η | 0.0013157 | Pa×s | 432.24 | Calculated Property |
| η | 0.0008184 | Pa×s | 465.41 | Calculated Property |
| η | 0.0005422 | Pa×s | 498.58 | Calculated Property |
| η | 0.0003782 | Pa×s | 531.74 | Calculated Property |
| η | 0.0002752 | Pa×s | 564.91 | Calculated Property |
| η | 0.0002074 | Pa×s | 598.08 | Calculated Property |
| η | 0.0001610 | Pa×s | 631.25 | Calculated Property |
| η | 0.0001282 | Pa×s | 664.42 | Calculated Property |
| η | 0.0001044 | Pa×s | 697.59 | Calculated Property |
Similar Compounds
Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, 2-cyclohexylethyl propyl ester.
Sources
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