- InChI
- InChI=1S/C9H18O2/c1-7(2)6-11-8(10)9(3,4)5/h7H,6H2,1-5H3
- InChI Key
- IFVLZKSUYNTRHJ-UHFFFAOYSA-N
- Formula
- C9H18O2
- SMILES
- CC(C)COC(=O)C(C)(C)C
- Molecular Weight1
- 158.24
- CAS
- 5129-38-4
- Other Names
-
- iso-Butyl pivalate
- Propanoic acid, 2,2-dimethyl, 2-methylpropyl ester
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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.
- 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 |
|---|---|---|---|
| ω | 0.4757 | Relay (1.0) Calculated Property | |
| ΔfG° | -208.62 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -566.01 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 10.92 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 5515.00 | kJ/mol | NIST |
| IE | 9.67 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.30 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.232 | Crippen Calculated Property | |
| McVol | 145.110 | ml/mol | McGowan Calculated Property |
| Pc | 2477.65 | kPa | Joback Calculated Property |
| Inp | [930.00; 933.00] |
|
|
| Inp | 930.00 | NIST | |
| Inp | 933.00 | NIST | |
| I | [1084.00; 1085.00] |
|
|
| I | 1084.00 | NIST | |
| I | 1085.00 | NIST | |
| I | 1085.00 | NIST | |
| Tboil | 426.94 | K | Relay (1.0) Calculated Property |
| Tc | 600.95 | K | Relay (1.0) Calculated Property |
| Tfus | 209.31 | K | Relay (1.0) Calculated Property |
| Vc | 0.551 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [325.82; 404.33] | J/mol×K | [477.94; 666.16] |
|
| Cp,gas | 325.82 | J/mol×K | 477.94 | Joback Calculated Property |
| Cp,gas | 340.58 | J/mol×K | 509.31 | Joback Calculated Property |
| Cp,gas | 354.64 | J/mol×K | 540.68 | Joback Calculated Property |
| Cp,gas | 368.03 | J/mol×K | 572.05 | Joback Calculated Property |
| Cp,gas | 380.76 | J/mol×K | 603.42 | Joback Calculated Property |
| Cp,gas | 392.85 | J/mol×K | 634.79 | Joback Calculated Property |
| Cp,gas | 404.33 | J/mol×K | 666.16 | Joback Calculated Property |
| η | [0.0002253; 0.0068881] | Pa×s | [250.77; 477.94] |
|
| η | 0.0068881 | Pa×s | 250.77 | Joback Calculated Property |
| η | 0.0026801 | Pa×s | 288.63 | Joback Calculated Property |
| η | 0.0012980 | Pa×s | 326.49 | Joback Calculated Property |
| η | 0.0007309 | Pa×s | 364.36 | Joback Calculated Property |
| η | 0.0004585 | Pa×s | 402.22 | Joback Calculated Property |
| η | 0.0003117 | Pa×s | 440.08 | Joback Calculated Property |
| η | 0.0002253 | Pa×s | 477.94 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pivalic acid, 2-methylpropyl ester.
Sources
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