- InChI
- InChI=1S/C20H34O4/c1-2-3-4-5-6-7-11-16-23-19(21)14-15-20(22)24-17-18-12-9-8-10-13-18/h6-7,18H,2-5,8-17H2,1H3/b7-6+
- InChI Key
- JZGDWYZIOHELHJ-VOTSOKGWSA-N
- Formula
- C20H34O4
- SMILES
-
CCCCCC=CCCOC(=O)CCC(=O)OCC1CCC
CC1 - Molecular Weight1
- 338.48
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfusH° | 48.33 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 100.61 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 4.960 | Crippen Calculated Property | |
| McVol | 292.380 | ml/mol | McGowan Calculated Property |
| Inp | [2445.00; 2445.00] |
|
|
| Inp | 2445.00 | NIST | |
| Inp | 2445.00 | NIST | |
| Tboil | 647.61 | K | Relay (1.0) Calculated Property |
| Tc | 828.17 | K | Relay (1.0) Calculated Property |
| Tfus | 252.34 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [410.31; 1021.86] | 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 | -4.42610e+01 | |||
| Coefficient B | 1.93632e+00 | |||
| Coefficient C | -1.03980e-03 | |||
| Coefficient D | 1.69600e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 410.31 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 518.14 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 614.74 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 700.66 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 776.44 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 842.60 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 899.68 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 948.23 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 988.78 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1021.86 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0016631; 0.0000666] | Pa×s | [402.12; 694.39] |
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 | -1.40425e+01 | |||
| Coefficient B | 3.07359e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 402.12 | |||
| Temperature range, max. | 694.39 | |||
| η | 0.0016631 | Pa×s | 402.12 | Calculated Property |
| η | 0.0009395 | Pa×s | 434.59 | Calculated Property |
| η | 0.0005745 | Pa×s | 467.07 | Calculated Property |
| η | 0.0003746 | Pa×s | 499.54 | Calculated Property |
| η | 0.0002573 | Pa×s | 532.02 | Calculated Property |
| η | 0.0001845 | Pa×s | 564.49 | Calculated Property |
| η | 0.0001372 | Pa×s | 596.97 | Calculated Property |
| η | 0.0001052 | Pa×s | 629.44 | Calculated Property |
| η | 0.0000828 | Pa×s | 661.92 | Calculated Property |
| η | 0.0000666 | Pa×s | 694.39 | Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, cyclohexylmethyl non-3-en-1-yl ester.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
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