- InChI
- InChI=1S/C21H40O4/c1-6-7-8-9-10-11-12-13-14-16-24-19(22)21(4,5)20(23)25-17-15-18(2)3/h18H,6-17H2,1-5H3
- InChI Key
- CGGBWAFRBGFTHD-UHFFFAOYSA-N
- Formula
- C21H40O4
- SMILES
-
CCCCCCCCCCCOC(=O)C(C)(C)C(=O)O
CCC(C)C - Molecular Weight1
- 356.54
- 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 | 0.9511 | Relay (1.0) Calculated Property | |
| ΔfG° | -494.40 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1102.52 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 47.95 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 95.23 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.78 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.71 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.676 | Crippen Calculated Property | |
| McVol | 321.630 | ml/mol | McGowan Calculated Property |
| Pc | 978.40 | kPa | Joback Calculated Property |
| Inp | [2182.00; 2182.00] |
|
|
| Inp | 2182.00 | NIST | |
| Inp | 2182.00 | NIST | |
| Tboil | 593.48 | K | Relay (1.0) Calculated Property |
| Tc | 785.05 | K | Relay (1.0) Calculated Property |
| Tfus | 257.80 | K | Relay (1.0) Calculated Property |
| Vc | 1.237 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1014.21; 1111.00] | J/mol×K | [792.85; 975.86] |
|
| Cp,gas | 1014.21 | J/mol×K | 792.85 | Joback Calculated Property |
| Cp,gas | 1033.12 | J/mol×K | 823.35 | Joback Calculated Property |
| Cp,gas | 1050.87 | J/mol×K | 853.85 | Joback Calculated Property |
| Cp,gas | 1067.50 | J/mol×K | 884.35 | Joback Calculated Property |
| Cp,gas | 1083.05 | J/mol×K | 914.86 | Joback Calculated Property |
| Cp,gas | 1097.54 | J/mol×K | 945.36 | Joback Calculated Property |
| Cp,gas | 1111.00 | J/mol×K | 975.86 | Joback Calculated Property |
| η | [0.0000268; 0.0017445] | Pa×s | [398.51; 792.85] |
|
| η | 0.0017445 | Pa×s | 398.51 | Joback Calculated Property |
| η | 0.0005315 | Pa×s | 464.23 | Joback Calculated Property |
| η | 0.0002174 | Pa×s | 529.96 | Joback Calculated Property |
| η | 0.0001084 | Pa×s | 595.68 | Joback Calculated Property |
| η | 0.0000620 | Pa×s | 661.40 | Joback Calculated Property |
| η | 0.0000393 | Pa×s | 727.13 | Joback Calculated Property |
| η | 0.0000268 | Pa×s | 792.85 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Dimethylmalonic acid, 3-methylbutyl undecyl ester.
Sources
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