- InChI
- InChI=1S/C21H28O4/c1-4-24-19(22)21(2,3)20(23)25-18(17-13-9-6-10-14-17)15-16-11-7-5-8-12-16/h6-7,9-11,13-14,16,18H,4-5,8,12,15H2,1-3H3
- InChI Key
- ZBUBJFIHRVBRSG-UHFFFAOYSA-N
- Formula
- C21H28O4
- SMILES
-
CCOC(=O)C(C)(C)C(=O)OC(CC1C=CC
CC1)c1ccccc1 - Molecular Weight1
- 344.44
- 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 | 0.6401 | Relay (1.0) Calculated Property | |
| ΔfG° | -174.68 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -740.43 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 31.88 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 98.57 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.64 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.18 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.607 | Crippen Calculated Property | |
| McVol | 282.710 | ml/mol | McGowan Calculated Property |
| Pc | 1546.35 | kPa | Joback Calculated Property |
| Inp | 2230.00 | NIST | |
| Tboil | 628.26 | K | Relay (1.0) Calculated Property |
| Tc | 859.04 | K | Relay (1.0) Calculated Property |
| Tfus | 296.49 | K | Relay (1.0) Calculated Property |
| Vc | 1.011 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [905.26; 984.62] | J/mol×K | [874.18; 1103.02] | 
|
| Cp,gas | 905.26 | J/mol×K | 874.18 | Joback Calculated Property |
| Cp,gas | 922.07 | J/mol×K | 912.32 | Joback Calculated Property |
| Cp,gas | 937.35 | J/mol×K | 950.46 | Joback Calculated Property |
| Cp,gas | 951.17 | J/mol×K | 988.60 | Joback Calculated Property |
| Cp,gas | 963.61 | J/mol×K | 1026.74 | Joback Calculated Property |
| Cp,gas | 974.74 | J/mol×K | 1064.88 | Joback Calculated Property |
| Cp,gas | 984.62 | J/mol×K | 1103.02 | Joback Calculated Property |
| η | [0.0000376; 0.0007396] | Pa×s | [492.73; 874.18] |
|
| η | 0.0007396 | Pa×s | 492.73 | Joback Calculated Property |
| η | 0.0003389 | Pa×s | 556.31 | Joback Calculated Property |
| η | 0.0001822 | Pa×s | 619.88 | Joback Calculated Property |
| η | 0.0001100 | Pa×s | 683.45 | Joback Calculated Property |
| η | 0.0000723 | Pa×s | 747.03 | Joback Calculated Property |
| η | 0.0000508 | Pa×s | 810.61 | Joback Calculated Property |
| η | 0.0000376 | Pa×s | 874.18 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Dimethylmalonic acid, ethyl 1-phenyl-2-(cyclohex-2-enyl)ethyl ester.
Sources
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