- InChI
- InChI=1S/C17H24O4/c1-13(2)12-21-16(19)17(3,4)15(18)20-11-10-14-8-6-5-7-9-14/h5-9,13H,10-12H2,1-4H3
- InChI Key
- HMQJKTZMOGBQEN-UHFFFAOYSA-N
- Formula
- C17H24O4
- SMILES
-
CC(C)COC(=O)C(C)(C)C(=O)OCCc1c
cccc1 - 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 | 0.7136 | Relay (1.0) Calculated Property | |
| ΔfG° | -262.77 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -767.63 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 28.46 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 83.40 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.97 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.67 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.998 | Crippen Calculated Property | |
| McVol | 241.510 | ml/mol | McGowan Calculated Property |
| Pc | 1736.11 | kPa | Joback Calculated Property |
| Inp | 1883.00 | NIST | |
| Tboil | 592.34 | K | Relay (1.0) Calculated Property |
| Tc | 796.39 | K | Relay (1.0) Calculated Property |
| Tfus | 279.44 | K | Relay (1.0) Calculated Property |
| Vc | 0.898 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [707.52; 787.66] | J/mol×K | [763.95; 974.55] | 
|
| Cp,gas | 707.52 | J/mol×K | 763.95 | Joback Calculated Property |
| Cp,gas | 723.59 | J/mol×K | 799.05 | Joback Calculated Property |
| Cp,gas | 738.52 | J/mol×K | 834.15 | Joback Calculated Property |
| Cp,gas | 752.35 | J/mol×K | 869.25 | Joback Calculated Property |
| Cp,gas | 765.13 | J/mol×K | 904.35 | Joback Calculated Property |
| Cp,gas | 776.88 | J/mol×K | 939.45 | Joback Calculated Property |
| Cp,gas | 787.66 | J/mol×K | 974.55 | Joback Calculated Property |
| η | [0.0000613; 0.0010708] | Pa×s | [439.51; 763.95] |
|
| η | 0.0010708 | Pa×s | 439.51 | Joback Calculated Property |
| η | 0.0005121 | Pa×s | 493.58 | Joback Calculated Property |
| η | 0.0002833 | Pa×s | 547.66 | Joback Calculated Property |
| η | 0.0001743 | Pa×s | 601.73 | Joback Calculated Property |
| η | 0.0001162 | Pa×s | 655.80 | Joback Calculated Property |
| η | 0.0000824 | Pa×s | 709.88 | Joback Calculated Property |
| η | 0.0000613 | Pa×s | 763.95 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Dimethylmalonic acid, isobutyl 2-phenethyl ester.
Sources
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