- InChI
- InChI=1S/C12H22O3/c1-8(2)9(13)12(6,7)10(14)15-11(3,4)5/h8H,1-7H3
- InChI Key
- FXJMOZRQCUAZPE-UHFFFAOYSA-N
- Formula
- C12H22O3
- SMILES
-
CC(C)C(=O)C(C)(C)C(=O)OC(C)(C)
C - Molecular Weight1
- 214.30
- CAS
- 4447-75-0
- 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° | -309.44 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -671.17 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 12.87 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 55.23 | kJ/mol | Joback Calculated Property |
| log10WS | -2.62 | Crippen Calculated Property | |
| logPoct/wat | 2.579 | Crippen Calculated Property | |
| McVol | 188.950 | ml/mol | McGowan Calculated Property |
| Pc | 2038.23 | kPa | Joback Calculated Property |
| Tboil | 597.22 | K | Joback Calculated Property |
| Tc | 797.80 | K | Joback Calculated Property |
| Tfus | 336.93 | K | Joback Calculated Property |
| Vc | 0.710 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [495.27; 580.50] | J/mol×K | [597.22; 797.80] | 
|
| Cp,gas | 495.27 | J/mol×K | 597.22 | Joback Calculated Property |
| Cp,gas | 511.81 | J/mol×K | 630.65 | Joback Calculated Property |
| Cp,gas | 527.36 | J/mol×K | 664.08 | Joback Calculated Property |
| Cp,gas | 541.96 | J/mol×K | 697.51 | Joback Calculated Property |
| Cp,gas | 555.65 | J/mol×K | 730.94 | Joback Calculated Property |
| Cp,gas | 568.48 | J/mol×K | 764.37 | Joback Calculated Property |
| Cp,gas | 580.50 | J/mol×K | 797.80 | Joback Calculated Property |
| η | [0.0001444; 0.0040306] | Pa×s | [336.93; 597.22] |
|
| η | 0.0040306 | Pa×s | 336.93 | Joback Calculated Property |
| η | 0.0016864 | Pa×s | 380.31 | Joback Calculated Property |
| η | 0.0008434 | Pa×s | 423.69 | Joback Calculated Property |
| η | 0.0004797 | Pa×s | 467.08 | Joback Calculated Property |
| η | 0.0003003 | Pa×s | 510.46 | Joback Calculated Property |
| η | 0.0002023 | Pa×s | 553.84 | Joback Calculated Property |
| η | 0.0001444 | Pa×s | 597.22 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Valeric acid, 2,2,4-trimethyl-3-oxo-, tert-butyl ester.
Sources
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