- InChI
- InChI=1S/C21H38O4/c1-5-6-7-8-9-10-11-16-24-19(22)21(3,4)20(23)25-18-14-12-17(2)13-15-18/h17-18H,5-16H2,1-4H3
- InChI Key
- JIQNHCVCQGPNRL-UHFFFAOYSA-N
- Formula
- C21H38O4
- SMILES
-
CCCCCCCCCOC(=O)C(C)(C)C(=O)OC1
CCC(C)CC1 - Molecular Weight1
- 354.52
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -322.32 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -941.14 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 41.21 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 79.48 | kJ/mol | Joback Calculated Property |
| log10WS | -5.86 | Crippen Calculated Property | |
| logPoct/wat | 5.428 | Crippen Calculated Property | |
| McVol | 310.770 | ml/mol | McGowan Calculated Property |
| Pc | 1148.32 | kPa | Joback Calculated Property |
| Inp | [2331.00; 2331.00] |
|
|
| Inp | 2331.00 | NIST | |
| Inp | 2331.00 | NIST | |
| Tboil | 844.11 | K | Joback Calculated Property |
| Tc | 1044.78 | K | Joback Calculated Property |
| Tfus | 476.31 | K | Joback Calculated Property |
| Vc | 1.181 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1031.55; 1128.56] | J/mol×K | [844.11; 1044.78] |
|
| Cp,gas | 1031.55 | J/mol×K | 844.11 | Joback Calculated Property |
| Cp,gas | 1051.09 | J/mol×K | 877.55 | Joback Calculated Property |
| Cp,gas | 1069.23 | J/mol×K | 911.00 | Joback Calculated Property |
| Cp,gas | 1086.01 | J/mol×K | 944.44 | Joback Calculated Property |
| Cp,gas | 1101.47 | J/mol×K | 977.89 | Joback Calculated Property |
| Cp,gas | 1115.64 | J/mol×K | 1011.33 | Joback Calculated Property |
| Cp,gas | 1128.56 | J/mol×K | 1044.78 | Joback Calculated Property |
| η | [0.0000486; 0.0008599] | Pa×s | [476.31; 844.11] |
|
| η | 0.0008599 | Pa×s | 476.31 | Joback Calculated Property |
| η | 0.0004053 | Pa×s | 537.61 | Joback Calculated Property |
| η | 0.0002229 | Pa×s | 598.91 | Joback Calculated Property |
| η | 0.0001369 | Pa×s | 660.21 | Joback Calculated Property |
| η | 0.0000914 | Pa×s | 721.51 | Joback Calculated Property |
| η | 0.0000650 | Pa×s | 782.81 | Joback Calculated Property |
| η | 0.0000486 | Pa×s | 844.11 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Dimethylmalonic acid, cis-4-methylcyclohexyl nonyl ester.
Sources
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