- InChI
- InChI=1S/C9H16O3/c1-6(2)8(9(11)12)5-4-7(3)10/h6,8H,4-5H2,1-3H3,(H,11,12)
- InChI Key
- GBNBHMJSMSODSZ-UHFFFAOYSA-N
- Formula
- C9H16O3
- SMILES
- CC(=O)CCC(C(=O)O)C(C)C
- Molecular Weight1
- 172.22
- 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).
- I : 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 |
|---|---|---|---|
| ΔfG° | -374.64 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -617.04 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 19.31 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 65.02 | kJ/mol | Joback Calculated Property |
| log10WS | -1.49 | Crippen Calculated Property | |
| logPoct/wat | 1.712 | Crippen Calculated Property | |
| McVol | 146.680 | ml/mol | McGowan Calculated Property |
| Pc | 2928.17 | kPa | Joback Calculated Property |
| I | 2570.00 | NIST | |
| Tboil | 604.36 | K | Joback Calculated Property |
| Tc | 786.29 | K | Joback Calculated Property |
| Tfus | 321.87 | K | Joback Calculated Property |
| Vc | 0.558 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [373.45; 433.14] | J/mol×K | [604.36; 786.29] | 
|
| Cp,gas | 373.45 | J/mol×K | 604.36 | Joback Calculated Property |
| Cp,gas | 384.73 | J/mol×K | 634.68 | Joback Calculated Property |
| Cp,gas | 395.46 | J/mol×K | 665.00 | Joback Calculated Property |
| Cp,gas | 405.65 | J/mol×K | 695.32 | Joback Calculated Property |
| Cp,gas | 415.32 | J/mol×K | 725.64 | Joback Calculated Property |
| Cp,gas | 424.48 | J/mol×K | 755.97 | Joback Calculated Property |
| Cp,gas | 433.14 | J/mol×K | 786.29 | Joback Calculated Property |
| η | [0.0000923; 0.0137516] | Pa×s | [321.87; 604.36] |
|
| η | 0.0137516 | Pa×s | 321.87 | Joback Calculated Property |
| η | 0.0035083 | Pa×s | 368.95 | Joback Calculated Property |
| η | 0.0012193 | Pa×s | 416.03 | Joback Calculated Property |
| η | 0.0005254 | Pa×s | 463.12 | Joback Calculated Property |
| η | 0.0002644 | Pa×s | 510.20 | Joback Calculated Property |
| η | 0.0001495 | Pa×s | 557.28 | Joback Calculated Property |
| η | 0.0000923 | Pa×s | 604.36 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Isopropyl-5-oxo-hexanoic acid.
Sources
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