- InChI
- InChI=1S/C28H42O4/c1-2-3-4-5-6-7-8-9-15-22-31-27(29)25-20-13-14-21-26(25)28(30)32-23-16-19-24-17-11-10-12-18-24/h10-14,17-18,25-26H,2-9,15-16,19-23H2,1H3
- InChI Key
- JPMLMNGXIXYMDR-UHFFFAOYSA-N
- Formula
- C28H42O4
- SMILES
-
CCCCCCCCCCCOC(=O)C1CC=CCC1C(=O
)OCCCc1ccccc1 - Molecular Weight1
- 442.64
- 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 | 1.0587 | Relay (1.0) Calculated Property | |
| ΔfG° | -276.75 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -825.21 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 65.18 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 133.03 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.76 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.77 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.819 | Crippen Calculated Property | |
| McVol | 381.340 | ml/mol | McGowan Calculated Property |
| Pc | 887.35 | kPa | Joback Calculated Property |
| Inp | [3228.00; 3228.00] |
|
|
| Inp | 3228.00 | NIST | |
| Inp | 3228.00 | NIST | |
| Tboil | 705.62 | K | Relay (1.0) Calculated Property |
| Tc | 920.88 | K | Relay (1.0) Calculated Property |
| Tfus | 315.59 | K | Relay (1.0) Calculated Property |
| Vc | 1.389 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [532.56; 1322.00] | 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 | -5.75370e+01 | |||
| Coefficient B | 2.51492e+00 | |||
| Coefficient C | -1.35428e-03 | |||
| Coefficient D | 2.18900e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 532.56 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 672.38 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 797.56 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 908.79 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 1006.76 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1092.17 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1165.71 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1228.06 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1279.93 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1322.00 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0004816; 0.0000336] | Pa×s | [520.30; 854.88] |
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 | -1.44432e+01 | |||
| Coefficient B | 3.54060e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 520.30 | |||
| Temperature range, max. | 854.88 | |||
| η | 0.0004816 | Pa×s | 520.30 | Calculated Property |
| η | 0.0003059 | Pa×s | 557.48 | Calculated Property |
| η | 0.0002057 | Pa×s | 594.65 | Calculated Property |
| η | 0.0001449 | Pa×s | 631.83 | Calculated Property |
| η | 0.0001061 | Pa×s | 669.00 | Calculated Property |
| η | 0.0000803 | Pa×s | 706.18 | Calculated Property |
| η | 0.0000625 | Pa×s | 743.35 | Calculated Property |
| η | 0.0000498 | Pa×s | 780.53 | Calculated Property |
| η | 0.0000405 | Pa×s | 817.71 | Calculated Property |
| η | 0.0000336 | Pa×s | 854.88 | Calculated Property |
Similar Compounds
Find more compounds similar to cis-Cyclohex-4-en-1,2-dicarboxylic acid, 3-phenylpropyl undecyl ester.
Sources
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