- InChI
- InChI=1S/C12H22O3/c1-8(2)7-15-11(14)12(5,6)10(13)9(3)4/h8-9H,7H2,1-6H3
- InChI Key
- BUGVTLLBUODWQN-UHFFFAOYSA-N
- Formula
- C12H22O3
- SMILES
- CC(C)COC(=O)C(C)(C)C(=O)C(C)C
- Molecular Weight1
- 214.30
- CAS
- 4447-74-9
- 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° | -314.72 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -667.70 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 16.76 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 56.14 | kJ/mol | Joback Calculated Property |
| log10WS | -2.26 | Crippen Calculated Property | |
| logPoct/wat | 2.437 | Crippen Calculated Property | |
| McVol | 188.950 | ml/mol | McGowan Calculated Property |
| Pc | 2018.13 | kPa | Joback Calculated Property |
| Tboil | 600.01 | K | Joback Calculated Property |
| Tc | 793.72 | K | Joback Calculated Property |
| Tfus | 319.51 | K | Joback Calculated Property |
| Vc | 0.715 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [492.59; 576.69] | J/mol×K | [600.01; 793.72] | 
|
| Cp,gas | 492.59 | J/mol×K | 600.01 | Joback Calculated Property |
| Cp,gas | 508.67 | J/mol×K | 632.30 | Joback Calculated Property |
| Cp,gas | 523.89 | J/mol×K | 664.58 | Joback Calculated Property |
| Cp,gas | 538.28 | J/mol×K | 696.87 | Joback Calculated Property |
| Cp,gas | 551.86 | J/mol×K | 729.15 | Joback Calculated Property |
| Cp,gas | 564.65 | J/mol×K | 761.44 | Joback Calculated Property |
| Cp,gas | 576.69 | J/mol×K | 793.72 | Joback Calculated Property |
| η | [0.0001506; 0.0048352] | Pa×s | [319.51; 600.01] |
|
| η | 0.0048352 | Pa×s | 319.51 | Joback Calculated Property |
| η | 0.0018752 | Pa×s | 366.26 | Joback Calculated Property |
| η | 0.0009012 | Pa×s | 413.01 | Joback Calculated Property |
| η | 0.0005027 | Pa×s | 459.76 | Joback Calculated Property |
| η | 0.0003123 | Pa×s | 506.51 | Joback Calculated Property |
| η | 0.0002103 | Pa×s | 553.26 | Joback Calculated Property |
| η | 0.0001506 | Pa×s | 600.01 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Valeric acid, 2,2,4-trimethyl-3-oxo-, iso-butyl ester.
Sources
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