- InChI
- InChI=1S/C22H28O4/c1-16(2)8-7-13-25-20(23)22(3,4)21(24)26-15-17-11-12-18-9-5-6-10-19(18)14-17/h5-6,9-12,14,16H,7-8,13,15H2,1-4H3
- InChI Key
- QKCMAIFWWUHKAT-UHFFFAOYSA-N
- Formula
- C22H28O4
- SMILES
-
CC(C)CCCOC(=O)C(C)(C)C(=O)OCc1
ccc2ccccc2c1 - Molecular Weight1
- 356.46
- 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° | -123.65 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -584.91 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 38.04 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 85.77 | kJ/mol | Joback Calculated Property |
| log10WS | -6.00 | Crippen Calculated Property | |
| logPoct/wat | 4.889 | Crippen Calculated Property | |
| McVol | 292.500 | ml/mol | McGowan Calculated Property |
| Pc | 1423.99 | kPa | Joback Calculated Property |
| Inp | [2606.00; 2606.00] |
|
|
| Inp | 2606.00 | NIST | |
| Inp | 2606.00 | NIST | |
| Tboil | 902.31 | K | Joback Calculated Property |
| Tc | 1123.67 | K | Joback Calculated Property |
| Tfus | 541.08 | K | Joback Calculated Property |
| Vc | 1.113 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [921.11; 997.33] | J/mol×K | [902.31; 1123.67] |
|
| Cp,gas | 921.11 | J/mol×K | 902.31 | Joback Calculated Property |
| Cp,gas | 936.34 | J/mol×K | 939.20 | Joback Calculated Property |
| Cp,gas | 950.44 | J/mol×K | 976.10 | Joback Calculated Property |
| Cp,gas | 963.51 | J/mol×K | 1012.99 | Joback Calculated Property |
| Cp,gas | 975.63 | J/mol×K | 1049.89 | Joback Calculated Property |
| Cp,gas | 986.87 | J/mol×K | 1086.78 | Joback Calculated Property |
| Cp,gas | 997.33 | J/mol×K | 1123.67 | Joback Calculated Property |
| η | [0.0000590; 0.0005764] | Pa×s | [541.08; 902.31] |
|
| η | 0.0005764 | Pa×s | 541.08 | Joback Calculated Property |
| η | 0.0003259 | Pa×s | 601.29 | Joback Calculated Property |
| η | 0.0002044 | Pa×s | 661.49 | Joback Calculated Property |
| η | 0.0001386 | Pa×s | 721.69 | Joback Calculated Property |
| η | 0.0000998 | Pa×s | 781.90 | Joback Calculated Property |
| η | 0.0000753 | Pa×s | 842.11 | Joback Calculated Property |
| η | 0.0000590 | Pa×s | 902.31 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Dimethylmalonic acid, isohexyl 2-naphthylmethyl ester.
Sources
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