- InChI
- InChI=1S/C19H28O4/c1-15(2)9-8-13-22-17(20)19(3,4)18(21)23-14-12-16-10-6-5-7-11-16/h5-7,10-11,15H,8-9,12-14H2,1-4H3
- InChI Key
- AENCDLIBAUVBGF-UHFFFAOYSA-N
- Formula
- C19H28O4
- SMILES
-
CC(C)CCCOC(=O)C(C)(C)C(=O)OCCc
1ccccc1 - Molecular Weight1
- 320.42
- 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° | -245.93 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -702.59 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 33.64 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 76.79 | kJ/mol | Joback Calculated Property |
| log10WS | -4.12 | Crippen Calculated Property | |
| logPoct/wat | 3.778 | Crippen Calculated Property | |
| McVol | 269.690 | ml/mol | McGowan Calculated Property |
| Pc | 1488.44 | kPa | Joback Calculated Property |
| Inp | 2078.00 | NIST | |
| Tboil | 809.71 | K | Joback Calculated Property |
| Tc | 1016.99 | K | Joback Calculated Property |
| Tfus | 462.05 | K | Joback Calculated Property |
| Vc | 1.022 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [821.57; 903.37] | J/mol×K | [809.71; 1016.99] | 
|
| Cp,gas | 821.57 | J/mol×K | 809.71 | Joback Calculated Property |
| Cp,gas | 837.98 | J/mol×K | 844.26 | Joback Calculated Property |
| Cp,gas | 853.22 | J/mol×K | 878.80 | Joback Calculated Property |
| Cp,gas | 867.33 | J/mol×K | 913.35 | Joback Calculated Property |
| Cp,gas | 880.36 | J/mol×K | 947.89 | Joback Calculated Property |
| Cp,gas | 892.36 | J/mol×K | 982.44 | Joback Calculated Property |
| Cp,gas | 903.37 | J/mol×K | 1016.99 | Joback Calculated Property |
| η | [0.0000458; 0.0008531] | Pa×s | [462.05; 809.71] |
|
| η | 0.0008531 | Pa×s | 462.05 | Joback Calculated Property |
| η | 0.0003993 | Pa×s | 519.99 | Joback Calculated Property |
| η | 0.0002176 | Pa×s | 577.94 | Joback Calculated Property |
| η | 0.0001325 | Pa×s | 635.88 | Joback Calculated Property |
| η | 0.0000876 | Pa×s | 693.82 | Joback Calculated Property |
| η | 0.0000618 | Pa×s | 751.77 | Joback Calculated Property |
| η | 0.0000458 | Pa×s | 809.71 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Dimethylmalonic acid, isohexyl 2-phenethyl ester.
Sources
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