- InChI
- InChI=1S/C27H40O4/c1-2-3-4-5-6-7-8-14-21-30-26(28)24-19-12-13-20-25(24)27(29)31-22-15-18-23-16-10-9-11-17-23/h9-13,16-17,24-25H,2-8,14-15,18-22H2,1H3
- InChI Key
- AVTBCFBFTSWAQA-UHFFFAOYSA-N
- Formula
- C27H40O4
- SMILES
-
CCCCCCCCCCOC(=O)C1CC=CCC1C(=O)
OCCCc1ccccc1 - Molecular Weight1
- 428.60
- 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 | 1.0205 | Relay (1.0) Calculated Property | |
| ΔfG° | -285.17 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -804.04 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 62.59 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 129.04 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.72 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.49 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.429 | Crippen Calculated Property | |
| McVol | 367.250 | ml/mol | McGowan Calculated Property |
| Pc | 940.37 | kPa | Joback Calculated Property |
| Inp | [3123.00; 3123.00] |
|
|
| Inp | 3123.00 | NIST | |
| Inp | 3123.00 | NIST | |
| Tboil | 698.98 | K | Relay (1.0) Calculated Property |
| Tc | 914.32 | K | Relay (1.0) Calculated Property |
| Tfus | 314.68 | K | Relay (1.0) Calculated Property |
| Vc | 1.335 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [511.34; 1270.41] | 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 | -5.66280e+01 | |||
| Coefficient B | 2.41992e+00 | |||
| Coefficient C | -1.29988e-03 | |||
| Coefficient D | 2.07000e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 511.34 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 645.96 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 766.48 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 873.56 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 967.85 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1050.01 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1120.69 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1180.55 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1230.24 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1270.41 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0005499; 0.0000389] | Pa×s | [509.03; 836.04] |
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 | -1.42764e+01 | |||
| Coefficient B | 3.44644e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 509.03 | |||
| Temperature range, max. | 836.04 | |||
| η | 0.0005499 | Pa×s | 509.03 | Calculated Property |
| η | 0.0003502 | Pa×s | 545.36 | Calculated Property |
| η | 0.0002360 | Pa×s | 581.70 | Calculated Property |
| η | 0.0001666 | Pa×s | 618.03 | Calculated Property |
| η | 0.0001222 | Pa×s | 654.37 | Calculated Property |
| η | 0.0000927 | Pa×s | 690.70 | Calculated Property |
| η | 0.0000722 | Pa×s | 727.04 | Calculated Property |
| η | 0.0000576 | Pa×s | 763.37 | Calculated Property |
| η | 0.0000469 | Pa×s | 799.70 | Calculated Property |
| η | 0.0000389 | Pa×s | 836.04 | Calculated Property |
Similar Compounds
Find more compounds similar to cis-Cyclohex-4-en-1,2-dicarboxylic acid, decyl 3-phenylpropyl ester.
Sources
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