- InChI
- InChI=1S/C9H18O2/c1-5-6-8(4)11-9(10)7(2)3/h7-8H,5-6H2,1-4H3
- InChI Key
- DUNWRGFRZIHKPT-UHFFFAOYSA-N
- Formula
- C9H18O2
- SMILES
- CCCC(C)OC(=O)C(C)C
- Molecular Weight1
- 158.24
- CAS
- 54340-93-1
- Other Names
-
- «alpha»-Methylbutyl isobutyrate
- 2-Pentyl 2-methylpropanoate
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.4957 | Relay (1.0) Calculated Property | |
| ΔfH°gas | -571.00 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 16.39 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 49.70 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.88 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 2.374 | Crippen Calculated Property | |
| McVol | 145.110 | ml/mol | McGowan Calculated Property |
| Pc | 2354.20 | kPa | Joback Calculated Property |
| Tboil | 415.14 | K | Relay (1.0) Calculated Property |
| Tc | 601.29 | K | Relay (1.0) Calculated Property |
| Tfus | 180.10 | K | Relay (1.0) Calculated Property |
| Vc | 0.556 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Standard Gibbs free energy of formation, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [317.24; 394.46] | J/mol×K | [462.86; 640.80] | 
|
| Cp,gas | 317.24 | J/mol×K | 462.86 | Joback Calculated Property |
| Cp,gas | 331.51 | J/mol×K | 492.52 | Joback Calculated Property |
| Cp,gas | 345.21 | J/mol×K | 522.17 | Joback Calculated Property |
| Cp,gas | 358.35 | J/mol×K | 551.83 | Joback Calculated Property |
| Cp,gas | 370.93 | J/mol×K | 581.49 | Joback Calculated Property |
| Cp,gas | 382.97 | J/mol×K | 611.15 | Joback Calculated Property |
| Cp,gas | 394.46 | J/mol×K | 640.80 | Joback Calculated Property |
| η | [0.0002041; 0.0178089] | Pa×s | [203.52; 462.86] |
|
| η | 0.0178089 | Pa×s | 203.52 | Joback Calculated Property |
| η | 0.0044041 | Pa×s | 246.74 | Joback Calculated Property |
| η | 0.0016519 | Pa×s | 289.97 | Joback Calculated Property |
| η | 0.0007991 | Pa×s | 333.19 | Joback Calculated Property |
| η | 0.0004567 | Pa×s | 376.41 | Joback Calculated Property |
| η | 0.0002929 | Pa×s | 419.64 | Joback Calculated Property |
| η | 0.0002041 | Pa×s | 462.86 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Propanoic acid, 2-methyl-, 1-methylbutyl ester.
Sources
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