- InChI
- InChI=1S/C17H24O4/c1-4-12-20-15(18)17(2,3)16(19)21-13-8-11-14-9-6-5-7-10-14/h5-7,9-10H,4,8,11-13H2,1-3H3
- InChI Key
- DEZPNESOACKNSA-UHFFFAOYSA-N
- Formula
- C17H24O4
- SMILES
-
CCCOC(=O)C(C)(C)C(=O)OCCCc1ccc
cc1 - Molecular Weight1
- 292.37
- 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 | 0.7408 | Relay (1.0) Calculated Property | |
| ΔfG° | -413.23 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -759.34 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 35.15 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 86.19 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.96 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.68 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.142 | Crippen Calculated Property | |
| McVol | 241.510 | ml/mol | McGowan Calculated Property |
| Pc | 1612.88 | kPa | Joback Calculated Property |
| Inp | 1950.00 | NIST | |
| Tboil | 598.46 | K | Relay (1.0) Calculated Property |
| Tc | 799.05 | K | Relay (1.0) Calculated Property |
| Tfus | 259.01 | K | Relay (1.0) Calculated Property |
| Vc | 0.902 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [695.41; 776.69] | J/mol×K | [728.45; 931.94] | 
|
| Cp,gas | 695.41 | J/mol×K | 728.45 | Joback Calculated Property |
| Cp,gas | 711.78 | J/mol×K | 762.36 | Joback Calculated Property |
| Cp,gas | 726.98 | J/mol×K | 796.28 | Joback Calculated Property |
| Cp,gas | 741.02 | J/mol×K | 830.19 | Joback Calculated Property |
| Cp,gas | 753.96 | J/mol×K | 864.11 | Joback Calculated Property |
| Cp,gas | 765.84 | J/mol×K | 898.02 | Joback Calculated Property |
| Cp,gas | 776.69 | J/mol×K | 931.94 | Joback Calculated Property |
| η | [0.0000539; 0.0016768] | Pa×s | [394.85; 728.45] |
|
| η | 0.0016768 | Pa×s | 394.85 | Joback Calculated Property |
| η | 0.0006637 | Pa×s | 450.45 | Joback Calculated Property |
| η | 0.0003221 | Pa×s | 506.05 | Joback Calculated Property |
| η | 0.0001803 | Pa×s | 561.65 | Joback Calculated Property |
| η | 0.0001121 | Pa×s | 617.25 | Joback Calculated Property |
| η | 0.0000754 | Pa×s | 672.85 | Joback Calculated Property |
| η | 0.0000539 | Pa×s | 728.45 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Dimethylmalonic acid, 3-phenylpropyl propyl ester.
Sources
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