- InChI
- InChI=1S/C24H34O4/c1-2-3-4-5-11-18-27-23(25)21-16-9-10-17-22(21)24(26)28-19-12-15-20-13-7-6-8-14-20/h6-10,13-14,21-22H,2-5,11-12,15-19H2,1H3
- InChI Key
- RCVYSFMRNOETRG-UHFFFAOYSA-N
- Formula
- C24H34O4
- SMILES
-
CCCCCCCOC(=O)C1CC=CCC1C(=O)OCC
Cc1ccccc1 - Molecular Weight1
- 386.52
- 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 | 0.9010 | Relay (1.0) Calculated Property | |
| ΔfG° | -310.43 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -739.47 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 54.82 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 117.61 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.64 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.64 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.258 | Crippen Calculated Property | |
| McVol | 324.980 | ml/mol | McGowan Calculated Property |
| Pc | 1131.38 | kPa | Joback Calculated Property |
| Inp | [2817.00; 2817.00] |
|
|
| Inp | 2817.00 | NIST | |
| Inp | 2817.00 | NIST | |
| Tboil | 678.79 | K | Relay (1.0) Calculated Property |
| Tc | 894.18 | K | Relay (1.0) Calculated Property |
| Tfus | 312.15 | K | Relay (1.0) Calculated Property |
| Vc | 1.174 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [447.70; 1115.64] | 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 | -5.39010e+01 | |||
| Coefficient B | 2.13492e+00 | |||
| Coefficient C | -1.13668e-03 | |||
| Coefficient D | 1.71300e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 447.70 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 566.71 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 673.25 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 767.87 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 851.12 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 923.53 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 985.64 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1038.00 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1081.16 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1115.64 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0008048; 0.0000586] | Pa×s | [475.22; 783.43] |
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 | -1.37828e+01 | |||
| Coefficient B | 3.16396e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 475.22 | |||
| Temperature range, max. | 783.43 | |||
| η | 0.0008048 | Pa×s | 475.22 | Calculated Property |
| η | 0.0005144 | Pa×s | 509.47 | Calculated Property |
| η | 0.0003479 | Pa×s | 543.71 | Calculated Property |
| η | 0.0002464 | Pa×s | 577.96 | Calculated Property |
| η | 0.0001814 | Pa×s | 612.20 | Calculated Property |
| η | 0.0001380 | Pa×s | 646.45 | Calculated Property |
| η | 0.0001079 | Pa×s | 680.69 | Calculated Property |
| η | 0.0000863 | Pa×s | 714.94 | Calculated Property |
| η | 0.0000705 | Pa×s | 749.18 | Calculated Property |
| η | 0.0000586 | Pa×s | 783.43 | Calculated Property |
Similar Compounds
Find more compounds similar to cis-Cyclohex-4-en-1,2-dicarboxylic acid, heptyl 3-phenylpropyl ester.
Sources
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