- InChI
- InChI=1S/C12H24O3/c1-9(6-12(3,4)5)8-15-11(14)10(2)7-13/h9-10,13H,6-8H2,1-5H3
- InChI Key
- UWYBMAMAOBQGNK-UHFFFAOYSA-N
- Formula
- C12H24O3
- SMILES
- CC(COC(=O)C(C)CO)CC(C)(C)C
- Molecular Weight1
- 216.32
- Other Names
-
- propionic acid, -3-hydroxy-2-methyl-, 2,4,4-trimethylpentyl ester
- 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).
- Inp : Non-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° | -322.62 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -707.35 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 19.25 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 66.07 | kJ/mol | Joback Calculated Property |
| log10WS | -2.25 | Crippen Calculated Property | |
| logPoct/wat | 2.230 | Crippen Calculated Property | |
| McVol | 193.250 | ml/mol | McGowan Calculated Property |
| Pc | 2071.76 | kPa | Joback Calculated Property |
| Inp | 1387.00 | NIST | |
| Tboil | 638.32 | K | Joback Calculated Property |
| Tc | 816.40 | K | Joback Calculated Property |
| Tfus | 330.40 | K | Joback Calculated Property |
| Vc | 0.728 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [533.96; 610.77] | J/mol×K | [638.32; 816.40] | 
|
| Cp,gas | 533.96 | J/mol×K | 638.32 | Joback Calculated Property |
| Cp,gas | 548.50 | J/mol×K | 668.00 | Joback Calculated Property |
| Cp,gas | 562.30 | J/mol×K | 697.68 | Joback Calculated Property |
| Cp,gas | 575.41 | J/mol×K | 727.36 | Joback Calculated Property |
| Cp,gas | 587.84 | J/mol×K | 757.04 | Joback Calculated Property |
| Cp,gas | 599.62 | J/mol×K | 786.72 | Joback Calculated Property |
| Cp,gas | 610.77 | J/mol×K | 816.40 | Joback Calculated Property |
| η | [0.0000408; 0.0111802] | Pa×s | [330.40; 638.32] |
|
| η | 0.0111802 | Pa×s | 330.40 | Joback Calculated Property |
| η | 0.0023392 | Pa×s | 381.72 | Joback Calculated Property |
| η | 0.0007091 | Pa×s | 433.04 | Joback Calculated Property |
| η | 0.0002768 | Pa×s | 484.36 | Joback Calculated Property |
| η | 0.0001294 | Pa×s | 535.68 | Joback Calculated Property |
| η | 0.0000691 | Pa×s | 587.00 | Joback Calculated Property |
| η | 0.0000408 | Pa×s | 638.32 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Propanoic acid, 3-hydroxy-2-methyl, 2,4,4-trimethylpentyl ester.
Sources
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