- InChI
- InChI=1S/C10H20O2/c1-7(2)6-10(11)12-9(5)8(3)4/h7-9H,6H2,1-5H3
- InChI Key
- QHNMTYMWSUDOHH-UHFFFAOYSA-N
- Formula
- C10H20O2
- SMILES
- CC(C)CC(=O)OC(C)C(C)C
- Molecular Weight1
- 172.26
- 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° | -207.92 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -510.37 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 13.87 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 45.85 | kJ/mol | Joback Calculated Property |
| log10WS | -2.50 | Crippen Calculated Property | |
| logPoct/wat | 2.620 | Crippen Calculated Property | |
| McVol | 159.200 | ml/mol | McGowan Calculated Property |
| Pc | 2250.40 | kPa | Joback Calculated Property |
| Inp | [1033.00; 1033.00] |
|
|
| Inp | 1033.00 | NIST | |
| Inp | 1033.00 | NIST | |
| Tboil | 503.17 | K | Joback Calculated Property |
| Tc | 686.24 | K | Joback Calculated Property |
| Tfus | 229.62 | K | Joback Calculated Property |
| Vc | 0.602 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [368.71; 451.08] | J/mol×K | [503.17; 686.24] |
|
| Cp,gas | 368.71 | J/mol×K | 503.17 | Joback Calculated Property |
| Cp,gas | 383.96 | J/mol×K | 533.68 | Joback Calculated Property |
| Cp,gas | 398.59 | J/mol×K | 564.19 | Joback Calculated Property |
| Cp,gas | 412.61 | J/mol×K | 594.71 | Joback Calculated Property |
| Cp,gas | 426.03 | J/mol×K | 625.22 | Joback Calculated Property |
| Cp,gas | 438.85 | J/mol×K | 655.73 | Joback Calculated Property |
| Cp,gas | 451.08 | J/mol×K | 686.24 | Joback Calculated Property |
| η | [0.0001885; 0.0114324] | Pa×s | [229.62; 503.17] |
|
| η | 0.0114324 | Pa×s | 229.62 | Joback Calculated Property |
| η | 0.0032727 | Pa×s | 275.21 | Joback Calculated Property |
| η | 0.0013368 | Pa×s | 320.80 | Joback Calculated Property |
| η | 0.0006824 | Pa×s | 366.39 | Joback Calculated Property |
| η | 0.0004042 | Pa×s | 411.99 | Joback Calculated Property |
| η | 0.0002658 | Pa×s | 457.58 | Joback Calculated Property |
| η | 0.0001885 | Pa×s | 503.17 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isovaleric acid, 3-methylbutyl-2 ester.
Sources
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