- InChI
- InChI=1S/C21H24O4/c1-21(2,19(22)24-15-13-17-9-5-3-6-10-17)20(23)25-16-14-18-11-7-4-8-12-18/h3-12H,13-16H2,1-2H3
- InChI Key
- SKBRKUZQKUIQNK-UHFFFAOYSA-N
- Formula
- C21H24O4
- SMILES
-
CC(C)(C(=O)OCCc1ccccc1)C(=O)OC
Cc1ccccc1 - Molecular Weight1
- 340.41
- 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° | -114.24 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -502.06 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 36.39 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 83.91 | kJ/mol | Joback Calculated Property |
| log10WS | -4.30 | Crippen Calculated Property | |
| logPoct/wat | 3.584 | Crippen Calculated Property | |
| McVol | 274.110 | ml/mol | McGowan Calculated Property |
| Pc | 1651.11 | kPa | Joback Calculated Property |
| Inp | [2445.00; 2445.00] |
|
|
| Inp | 2445.00 | NIST | |
| Inp | 2445.00 | NIST | |
| Tboil | 882.59 | K | Joback Calculated Property |
| Tc | 1111.91 | K | Joback Calculated Property |
| Tfus | 526.01 | K | Joback Calculated Property |
| Vc | 1.032 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [841.26; 911.12] | J/mol×K | [882.59; 1111.91] |
|
| Cp,gas | 841.26 | J/mol×K | 882.59 | Joback Calculated Property |
| Cp,gas | 855.91 | J/mol×K | 920.81 | Joback Calculated Property |
| Cp,gas | 869.25 | J/mol×K | 959.03 | Joback Calculated Property |
| Cp,gas | 881.37 | J/mol×K | 997.25 | Joback Calculated Property |
| Cp,gas | 892.33 | J/mol×K | 1035.47 | Joback Calculated Property |
| Cp,gas | 902.22 | J/mol×K | 1073.69 | Joback Calculated Property |
| Cp,gas | 911.12 | J/mol×K | 1111.91 | Joback Calculated Property |
| η | [0.0000375; 0.0004843] | Pa×s | [526.01; 882.59] |
|
| η | 0.0004843 | Pa×s | 526.01 | Joback Calculated Property |
| η | 0.0002546 | Pa×s | 585.44 | Joback Calculated Property |
| η | 0.0001507 | Pa×s | 644.87 | Joback Calculated Property |
| η | 0.0000974 | Pa×s | 704.30 | Joback Calculated Property |
| η | 0.0000674 | Pa×s | 763.73 | Joback Calculated Property |
| η | 0.0000492 | Pa×s | 823.16 | Joback Calculated Property |
| η | 0.0000375 | Pa×s | 882.59 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Dimethylmalonic acid, di(2-phenethyl) ester.
Sources
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