- InChI
- InChI=1S/C20H38O4/c1-6-7-8-9-10-11-12-13-15-23-18(21)20(4,5)19(22)24-16-14-17(2)3/h17H,6-16H2,1-5H3
- InChI Key
- CJPAUOSEBZYERJ-UHFFFAOYSA-N
- Formula
- C20H38O4
- SMILES
-
CCCCCCCCCCOC(=O)C(C)(C)C(=O)OC
CC(C)C - Molecular Weight1
- 342.51
- 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 | 0.9155 | Relay (1.0) Calculated Property | |
| ΔfG° | -502.82 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1082.65 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 45.36 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 91.21 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.76 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.40 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.286 | Crippen Calculated Property | |
| McVol | 307.540 | ml/mol | McGowan Calculated Property |
| Pc | 1039.91 | kPa | Joback Calculated Property |
| Inp | [2085.00; 2085.00] |
|
|
| Inp | 2085.00 | NIST | |
| Inp | 2085.00 | NIST | |
| Tboil | 585.27 | K | Relay (1.0) Calculated Property |
| Tc | 776.44 | K | Relay (1.0) Calculated Property |
| Tfus | 252.98 | K | Relay (1.0) Calculated Property |
| Vc | 1.182 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [460.66; 1069.37] | 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 | 9.37100e+00 | |||
| Coefficient B | 1.92600e+00 | |||
| Coefficient C | -1.05000e-03 | |||
| Coefficient D | 1.84000e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 460.66 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 567.48 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 663.14 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 748.24 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 823.34 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 889.04 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 945.91 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 994.53 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1035.49 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1069.37 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0020473; 0.0000611] | Pa×s | [387.24; 665.72] |
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 | -1.45877e+01 | |||
| Coefficient B | 3.25144e+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. | 387.24 | |||
| Temperature range, max. | 665.72 | |||
| η | 0.0020473 | Pa×s | 387.24 | Calculated Property |
| η | 0.0010999 | Pa×s | 418.18 | Calculated Property |
| η | 0.0006438 | Pa×s | 449.12 | Calculated Property |
| η | 0.0004037 | Pa×s | 480.07 | Calculated Property |
| η | 0.0002679 | Pa×s | 511.01 | Calculated Property |
| η | 0.0001863 | Pa×s | 541.95 | Calculated Property |
| η | 0.0001347 | Pa×s | 572.89 | Calculated Property |
| η | 0.0001007 | Pa×s | 603.84 | Calculated Property |
| η | 0.0000775 | Pa×s | 634.78 | Calculated Property |
| η | 0.0000611 | Pa×s | 665.72 | Calculated Property |
Similar Compounds
Find more compounds similar to Dimethylmalonic acid, decyl 3-methylbutyl ester.
Sources
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