- InChI
- InChI=1S/C23H32O4/c1-2-3-4-10-17-26-22(24)20-15-8-9-16-21(20)23(25)27-18-11-14-19-12-6-5-7-13-19/h5-9,12-13,20-21H,2-4,10-11,14-18H2,1H3
- InChI Key
- ZHAPRYDPWHTVQE-UHFFFAOYSA-N
- Formula
- C23H32O4
- SMILES
-
CCCCCCOC(=O)C1CC=CCC1C(=O)OCCC
c1ccccc1 - Molecular Weight1
- 372.50
- 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 | 0.8595 | Relay (1.0) Calculated Property | |
| ΔfG° | -318.85 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -718.16 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 52.23 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 114.19 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.64 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.33 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.868 | Crippen Calculated Property | |
| McVol | 310.890 | ml/mol | McGowan Calculated Property |
| Pc | 1208.15 | kPa | Joback Calculated Property |
| Inp | [2720.00; 2720.00] |
|
|
| Inp | 2720.00 | NIST | |
| Inp | 2720.00 | NIST | |
| Tboil | 671.46 | K | Relay (1.0) Calculated Property |
| Tc | 886.98 | K | Relay (1.0) Calculated Property |
| Tfus | 310.10 | K | Relay (1.0) Calculated Property |
| Vc | 1.120 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [426.49; 1064.05] | 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 | -5.29920e+01 | |||
| Coefficient B | 2.03992e+00 | |||
| Coefficient C | -1.08228e-03 | |||
| Coefficient D | 1.59400e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 426.49 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 540.29 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 642.17 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 732.64 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 812.21 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 881.37 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 940.63 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 990.49 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1031.46 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1064.05 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0009082; 0.0000665] | Pa×s | [463.95; 767.06] |
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 | -1.36207e+01 | |||
| Coefficient B | 3.06980e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 463.95 | |||
| Temperature range, max. | 767.06 | |||
| η | 0.0009082 | Pa×s | 463.95 | Calculated Property |
| η | 0.0005803 | Pa×s | 497.63 | Calculated Property |
| η | 0.0003925 | Pa×s | 531.31 | Calculated Property |
| η | 0.0002781 | Pa×s | 564.99 | Calculated Property |
| η | 0.0002049 | Pa×s | 598.67 | Calculated Property |
| η | 0.0001559 | Pa×s | 632.35 | Calculated Property |
| η | 0.0001220 | Pa×s | 666.02 | Calculated Property |
| η | 0.0000977 | Pa×s | 699.70 | Calculated Property |
| η | 0.0000799 | Pa×s | 733.38 | Calculated Property |
| η | 0.0000665 | Pa×s | 767.06 | Calculated Property |
Similar Compounds
Find more compounds similar to cis-Cyclohex-4-en-1,2-dicarboxylic acid, hexyl 3-phenylpropyl ester.
Sources
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