- InChI
- InChI=1S/C20H30O4/c1-16(2)10-8-14-23-18(21)20(3,4)19(22)24-15-9-13-17-11-6-5-7-12-17/h5-7,11-12,16H,8-10,13-15H2,1-4H3
- InChI Key
- FYKFEWPHNGZLLS-UHFFFAOYSA-N
- Formula
- C20H30O4
- SMILES
-
CC(C)CCCOC(=O)C(C)(C)C(=O)OCCC
c1ccccc1 - Molecular Weight1
- 334.45
- 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 | 0.8256 | Relay (1.0) Calculated Property | |
| ΔfG° | -237.51 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -838.29 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 36.23 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 94.32 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.96 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.68 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.168 | Crippen Calculated Property | |
| McVol | 283.780 | ml/mol | McGowan Calculated Property |
| Pc | 1384.02 | kPa | Joback Calculated Property |
| Inp | 2189.00 | NIST | |
| Tboil | 620.18 | K | Relay (1.0) Calculated Property |
| Tc | 824.10 | K | Relay (1.0) Calculated Property |
| Tfus | 276.30 | K | Relay (1.0) Calculated Property |
| Vc | 1.053 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [879.92; 962.34] | J/mol×K | [832.59; 1039.11] | 
|
| Cp,gas | 879.92 | J/mol×K | 832.59 | Joback Calculated Property |
| Cp,gas | 896.46 | J/mol×K | 867.01 | Joback Calculated Property |
| Cp,gas | 911.82 | J/mol×K | 901.43 | Joback Calculated Property |
| Cp,gas | 926.04 | J/mol×K | 935.85 | Joback Calculated Property |
| Cp,gas | 939.17 | J/mol×K | 970.27 | Joback Calculated Property |
| Cp,gas | 951.25 | J/mol×K | 1004.69 | Joback Calculated Property |
| Cp,gas | 962.34 | J/mol×K | 1039.11 | Joback Calculated Property |
| η | [0.0000394; 0.0007571] | Pa×s | [473.32; 832.59] |
|
| η | 0.0007571 | Pa×s | 473.32 | Joback Calculated Property |
| η | 0.0003508 | Pa×s | 533.20 | Joback Calculated Property |
| η | 0.0001899 | Pa×s | 593.08 | Joback Calculated Property |
| η | 0.0001150 | Pa×s | 652.95 | Joback Calculated Property |
| η | 0.0000758 | Pa×s | 712.83 | Joback Calculated Property |
| η | 0.0000533 | Pa×s | 772.71 | Joback Calculated Property |
| η | 0.0000394 | Pa×s | 832.59 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Dimethylmalonic acid, isohexyl 3-phenylpropyl ester.
Sources
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