- InChI
- InChI=1S/C21H38O4/c1-3-4-5-6-7-9-12-18(2)25-21(23)16-15-20(22)24-17-19-13-10-8-11-14-19/h18-19H,3-17H2,1-2H3
- InChI Key
- KWXGRCXXBPEPRK-UHFFFAOYSA-N
- Formula
- C21H38O4
- SMILES
-
CCCCCCCCC(C)OC(=O)CCC(=O)OCC1C
CCCC1 - Molecular Weight1
- 354.53
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- 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.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -1070.78 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 47.20 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 101.93 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 5.572 | Crippen Calculated Property | |
| McVol | 310.770 | ml/mol | McGowan Calculated Property |
| Inp | [2461.00; 2461.00] |
|
|
| Inp | 2461.00 | NIST | |
| Inp | 2461.00 | NIST | |
| Tboil | 641.41 | K | Relay (1.0) Calculated Property |
| Tc | 830.55 | K | Relay (1.0) Calculated Property |
| Tfus | 272.53 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Pressure, Critical Volume, 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 | [445.21; 1104.57] | 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 | -3.26700e+01 | |||
| Coefficient B | 2.01724e+00 | |||
| Coefficient C | -1.01360e-03 | |||
| Coefficient D | 1.33600e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 445.21 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 560.04 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 663.49 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 755.98 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 837.95 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 909.80 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 971.97 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1024.87 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1068.93 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1104.57 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0019512; 0.0000632] | Pa×s | [403.47; 706.07] |
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 | -1.42432e+01 | |||
| Coefficient B | 3.22933e+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. | 403.47 | |||
| Temperature range, max. | 706.07 | |||
| η | 0.0019512 | Pa×s | 403.47 | Calculated Property |
| η | 0.0010542 | Pa×s | 437.09 | Calculated Property |
| η | 0.0006219 | Pa×s | 470.71 | Calculated Property |
| η | 0.0003936 | Pa×s | 504.34 | Calculated Property |
| η | 0.0002638 | Pa×s | 537.96 | Calculated Property |
| η | 0.0001853 | Pa×s | 571.58 | Calculated Property |
| η | 0.0001354 | Pa×s | 605.20 | Calculated Property |
| η | 0.0001022 | Pa×s | 638.83 | Calculated Property |
| η | 0.0000794 | Pa×s | 672.45 | Calculated Property |
| η | 0.0000632 | Pa×s | 706.07 | Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, cyclohexylmethyl 2-decyl 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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