- InChI
- InChI=1S/C9H16O3/c1-6(2)7(10)9(3,4)8(11)12-5/h6H,1-5H3
- InChI Key
- FDKLXJMFRMSQAA-UHFFFAOYSA-N
- Formula
- C9H16O3
- SMILES
- COC(=O)C(C)(C)C(=O)C(C)C
- Molecular Weight1
- 172.22
- CAS
- 918-71-8
- 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).
- 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° | -337.54 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -600.50 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 12.52 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 49.85 | kJ/mol | Joback Calculated Property |
| log10WS | -1.25 | Crippen Calculated Property | |
| logPoct/wat | 1.411 | Crippen Calculated Property | |
| McVol | 146.680 | ml/mol | McGowan Calculated Property |
| Pc | 2640.67 | kPa | Joback Calculated Property |
| Tboil | 531.81 | K | Joback Calculated Property |
| Tc | 729.38 | K | Joback Calculated Property |
| Tfus | 300.70 | K | Joback Calculated Property |
| Vc | 0.552 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [347.13; 419.03] | J/mol×K | [531.81; 729.38] | 
|
| Cp,gas | 347.13 | J/mol×K | 531.81 | Joback Calculated Property |
| Cp,gas | 360.85 | J/mol×K | 564.74 | Joback Calculated Property |
| Cp,gas | 373.85 | J/mol×K | 597.67 | Joback Calculated Property |
| Cp,gas | 386.14 | J/mol×K | 630.59 | Joback Calculated Property |
| Cp,gas | 397.76 | J/mol×K | 663.52 | Joback Calculated Property |
| Cp,gas | 408.72 | J/mol×K | 696.45 | Joback Calculated Property |
| Cp,gas | 419.03 | J/mol×K | 729.38 | Joback Calculated Property |
| η | [0.0002285; 0.0044253] | Pa×s | [300.70; 531.81] |
|
| η | 0.0044253 | Pa×s | 300.70 | Joback Calculated Property |
| η | 0.0020400 | Pa×s | 339.22 | Joback Calculated Property |
| η | 0.0011013 | Pa×s | 377.74 | Joback Calculated Property |
| η | 0.0006664 | Pa×s | 416.25 | Joback Calculated Property |
| η | 0.0004390 | Pa×s | 454.77 | Joback Calculated Property |
| η | 0.0003087 | Pa×s | 493.29 | Joback Calculated Property |
| η | 0.0002285 | Pa×s | 531.81 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Valeric acid, 2,2,4-trimethyl-3-oxo-, methyl ester.
Sources
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