- InChI
- InChI=1S/C12H22O3/c1-6-7-8-15-11(14)12(4,5)10(13)9(2)3/h9H,6-8H2,1-5H3
- InChI Key
- IOCDAKOKYMMTRL-UHFFFAOYSA-N
- Formula
- C12H22O3
- SMILES
- CCCCOC(=O)C(C)(C)C(=O)C(C)C
- Molecular Weight1
- 214.30
- CAS
- 4447-69-2
- 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° | -312.28 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -662.42 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 20.29 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 56.52 | kJ/mol | Joback Calculated Property |
| log10WS | -2.50 | Crippen Calculated Property | |
| logPoct/wat | 2.581 | Crippen Calculated Property | |
| McVol | 188.950 | ml/mol | McGowan Calculated Property |
| Pc | 2003.70 | kPa | Joback Calculated Property |
| Tboil | 600.45 | K | Joback Calculated Property |
| Tc | 790.59 | K | Joback Calculated Property |
| Tfus | 334.51 | K | Joback Calculated Property |
| Vc | 0.721 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [492.20; 574.81] | J/mol×K | [600.45; 790.59] | 
|
| Cp,gas | 492.20 | J/mol×K | 600.45 | Joback Calculated Property |
| Cp,gas | 507.94 | J/mol×K | 632.14 | Joback Calculated Property |
| Cp,gas | 522.86 | J/mol×K | 663.83 | Joback Calculated Property |
| Cp,gas | 536.98 | J/mol×K | 695.52 | Joback Calculated Property |
| Cp,gas | 550.33 | J/mol×K | 727.21 | Joback Calculated Property |
| Cp,gas | 562.93 | J/mol×K | 758.90 | Joback Calculated Property |
| Cp,gas | 574.81 | J/mol×K | 790.59 | Joback Calculated Property |
| η | [0.0001612; 0.0035399] | Pa×s | [334.51; 600.45] |
|
| η | 0.0035399 | Pa×s | 334.51 | Joback Calculated Property |
| η | 0.0015652 | Pa×s | 378.83 | Joback Calculated Property |
| η | 0.0008211 | Pa×s | 423.16 | Joback Calculated Property |
| η | 0.0004868 | Pa×s | 467.48 | Joback Calculated Property |
| η | 0.0003160 | Pa×s | 511.80 | Joback Calculated Property |
| η | 0.0002197 | Pa×s | 556.13 | Joback Calculated Property |
| η | 0.0001612 | Pa×s | 600.45 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Valeric acid, 2,2,4-trimethyl-3-oxo-, butyl ester.
Sources
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