- InChI
- InChI=1S/C20H26O4/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/h4-10,17-18H,2-3,11-15H2,1H3
- InChI Key
- ANYOCAQEWQNMSP-UHFFFAOYSA-N
- Formula
- C20H26O4
- SMILES
-
CCCCOC(=O)C1CC=CCC1C(=O)OCCc1c
cccc1 - Molecular Weight1
- 330.42
- 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 | 0.7344 | Relay (1.0) Calculated Property | |
| ΔfG° | -344.11 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -648.56 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 44.46 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 105.05 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.63 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.35 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.698 | Crippen Calculated Property | |
| McVol | 268.620 | ml/mol | McGowan Calculated Property |
| Pc | 1491.89 | kPa | Joback Calculated Property |
| Inp | [2409.00; 2409.00] |
|
|
| Inp | 2409.00 | NIST | |
| Inp | 2409.00 | NIST | |
| Tboil | 645.57 | K | Relay (1.0) Calculated Property |
| Tc | 863.92 | K | Relay (1.0) Calculated Property |
| Tfus | 288.79 | K | Relay (1.0) Calculated Property |
| Vc | 0.959 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [362.85; 909.28] | 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 | -5.02650e+01 | |||
| Coefficient B | 1.75492e+00 | |||
| Coefficient C | -9.19080e-04 | |||
| Coefficient D | 1.23700e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 362.85 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 461.03 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 548.94 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 626.95 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 695.47 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 754.88 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 805.58 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 847.95 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 882.38 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 909.28 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0012766; 0.0000935] | Pa×s | [430.14; 720.95] |
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 | -1.31436e+01 | |||
| Coefficient B | 2.78732e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 430.14 | |||
| Temperature range, max. | 720.95 | |||
| η | 0.0012766 | Pa×s | 430.14 | Calculated Property |
| η | 0.0008117 | Pa×s | 462.45 | Calculated Property |
| η | 0.0005476 | Pa×s | 494.77 | Calculated Property |
| η | 0.0003877 | Pa×s | 527.08 | Calculated Property |
| η | 0.0002856 | Pa×s | 559.39 | Calculated Property |
| η | 0.0002176 | Pa×s | 591.70 | Calculated Property |
| η | 0.0001705 | Pa×s | 624.02 | Calculated Property |
| η | 0.0001368 | Pa×s | 656.33 | Calculated Property |
| η | 0.0001121 | Pa×s | 688.64 | Calculated Property |
| η | 0.0000935 | Pa×s | 720.95 | Calculated Property |
Similar Compounds
Find more compounds similar to cis-Cyclohex-4-en-1,2-dicarboxylic acid, butyl phenethyl ester.
Sources
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