- InChI
- InChI=1S/C16H22O4/c1-4-11-19-14(17)16(2,3)15(18)20-12-10-13-8-6-5-7-9-13/h5-9H,4,10-12H2,1-3H3
- InChI Key
- DLLJBHVTNRKYDS-UHFFFAOYSA-N
- Formula
- C16H22O4
- SMILES
-
CCCOC(=O)C(C)(C)C(=O)OCCc1cccc
c1 - Molecular Weight1
- 278.35
- 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 | 0.7000 | Relay (1.0) Calculated Property | |
| ΔfG° | -421.65 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -732.97 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 32.56 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 83.09 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.94 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.36 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.752 | Crippen Calculated Property | |
| McVol | 227.420 | ml/mol | McGowan Calculated Property |
| Pc | 1744.82 | kPa | Joback Calculated Property |
| Inp | 1836.00 | NIST | |
| Tboil | 586.25 | K | Relay (1.0) Calculated Property |
| Tc | 789.04 | K | Relay (1.0) Calculated Property |
| Tfus | 261.65 | K | Relay (1.0) Calculated Property |
| Vc | 0.848 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [640.45; 720.72] | J/mol×K | [705.57; 911.35] | 
|
| Cp,gas | 640.45 | J/mol×K | 705.57 | Joback Calculated Property |
| Cp,gas | 656.63 | J/mol×K | 739.87 | Joback Calculated Property |
| Cp,gas | 671.65 | J/mol×K | 774.16 | Joback Calculated Property |
| Cp,gas | 685.52 | J/mol×K | 808.46 | Joback Calculated Property |
| Cp,gas | 698.30 | J/mol×K | 842.75 | Joback Calculated Property |
| Cp,gas | 710.02 | J/mol×K | 877.05 | Joback Calculated Property |
| Cp,gas | 720.72 | J/mol×K | 911.35 | Joback Calculated Property |
| η | [0.0000625; 0.0018999] | Pa×s | [383.58; 705.57] |
|
| η | 0.0018999 | Pa×s | 383.58 | Joback Calculated Property |
| η | 0.0007583 | Pa×s | 437.25 | Joback Calculated Property |
| η | 0.0003700 | Pa×s | 490.91 | Joback Calculated Property |
| η | 0.0002079 | Pa×s | 544.58 | Joback Calculated Property |
| η | 0.0001296 | Pa×s | 598.24 | Joback Calculated Property |
| η | 0.0000873 | Pa×s | 651.90 | Joback Calculated Property |
| η | 0.0000625 | Pa×s | 705.57 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Dimethylmalonic acid, 2-phenethyl propyl ester.
Sources
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