- InChI
- InChI=1S/C25H36O4/c1-2-3-4-5-6-12-19-28-24(26)22-17-10-11-18-23(22)25(27)29-20-13-16-21-14-8-7-9-15-21/h7-11,14-15,22-23H,2-6,12-13,16-20H2,1H3
- InChI Key
- CKDJCSRGZMURBA-UHFFFAOYSA-N
- Formula
- C25H36O4
- SMILES
-
CCCCCCCCOC(=O)C1CC=CCC1C(=O)OC
CCc1ccccc1 - Molecular Weight1
- 400.55
- 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 | 0.9413 | Relay (1.0) Calculated Property | |
| ΔfG° | -302.01 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -760.96 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 57.41 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 121.06 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.66 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.93 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.649 | Crippen Calculated Property | |
| McVol | 339.070 | ml/mol | McGowan Calculated Property |
| Pc | 1061.71 | kPa | Joback Calculated Property |
| Inp | [2912.00; 2912.00] |
|
|
| Inp | 2912.00 | NIST | |
| Inp | 2912.00 | NIST | |
| Tboil | 685.62 | K | Relay (1.0) Calculated Property |
| Tc | 901.09 | K | Relay (1.0) Calculated Property |
| Tfus | 312.86 | K | Relay (1.0) Calculated Property |
| Vc | 1.228 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [468.92; 1167.23] | 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 | -5.48100e+01 | |||
| Coefficient B | 2.22992e+00 | |||
| Coefficient C | -1.19108e-03 | |||
| Coefficient D | 1.83200e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 468.92 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 593.12 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 704.33 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 803.10 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 890.03 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 965.69 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1030.66 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1085.52 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1130.85 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1167.23 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0007109; 0.0000514] | Pa×s | [486.49; 800.36] |
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 | -1.39461e+01 | |||
| Coefficient B | 3.25812e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 486.49 | |||
| Temperature range, max. | 800.36 | |||
| η | 0.0007109 | Pa×s | 486.49 | Calculated Property |
| η | 0.0004542 | Pa×s | 521.36 | Calculated Property |
| η | 0.0003070 | Pa×s | 556.24 | Calculated Property |
| η | 0.0002173 | Pa×s | 591.11 | Calculated Property |
| η | 0.0001598 | Pa×s | 625.99 | Calculated Property |
| η | 0.0001214 | Pa×s | 660.86 | Calculated Property |
| η | 0.0000949 | Pa×s | 695.73 | Calculated Property |
| η | 0.0000759 | Pa×s | 730.61 | Calculated Property |
| η | 0.0000619 | Pa×s | 765.48 | Calculated Property |
| η | 0.0000514 | Pa×s | 800.36 | Calculated Property |
Similar Compounds
Find more compounds similar to cis-Cyclohex-4-en-1,2-dicarboxylic acid, octyl 3-phenylpropyl ester.
Sources
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