- InChI
- InChI=1S/C7H14O2/c1-5(2)6(3)7(8)9-4/h5-6H,1-4H3
- InChI Key
- YLXGEYQXFJAIBQ-UHFFFAOYSA-N
- Formula
- C7H14O2
- SMILES
- COC(=O)C(C)C(C)C
- Molecular Weight1
- 130.18
- CAS
- 30540-29-5
- Other Names
-
- Butyric acid, 2,3-dimethyl-, methyl 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° | -230.74 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -443.17 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 9.63 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 39.56 | kJ/mol | Joback Calculated Property |
| log10WS | -1.13 | Crippen Calculated Property | |
| logPoct/wat | 1.451 | Crippen Calculated Property | |
| McVol | 116.930 | ml/mol | McGowan Calculated Property |
| Pc | 2992.59 | kPa | Joback Calculated Property |
| Inp | 763.00 | NIST | |
| Tboil | 434.97 | K | Joback Calculated Property |
| Tc | 619.42 | K | Joback Calculated Property |
| Tfus | 210.81 | K | Joback Calculated Property |
| Vc | 0.440 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [238.81; 303.21] | J/mol×K | [434.97; 619.42] | 
|
| Cp,gas | 238.81 | J/mol×K | 434.97 | Joback Calculated Property |
| Cp,gas | 250.59 | J/mol×K | 465.71 | Joback Calculated Property |
| Cp,gas | 261.96 | J/mol×K | 496.45 | Joback Calculated Property |
| Cp,gas | 272.90 | J/mol×K | 527.19 | Joback Calculated Property |
| Cp,gas | 283.42 | J/mol×K | 557.94 | Joback Calculated Property |
| Cp,gas | 293.53 | J/mol×K | 588.68 | Joback Calculated Property |
| Cp,gas | 303.21 | J/mol×K | 619.42 | Joback Calculated Property |
| η | [0.0002432; 0.0077039] | Pa×s | [210.81; 434.97] |
|
| η | 0.0077039 | Pa×s | 210.81 | Joback Calculated Property |
| η | 0.0028076 | Pa×s | 248.17 | Joback Calculated Property |
| η | 0.0013326 | Pa×s | 285.53 | Joback Calculated Property |
| η | 0.0007515 | Pa×s | 322.89 | Joback Calculated Property |
| η | 0.0004773 | Pa×s | 360.25 | Joback Calculated Property |
| η | 0.0003301 | Pa×s | 397.61 | Joback Calculated Property |
| η | 0.0002432 | Pa×s | 434.97 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Butanoic acid, 2,3-dimethyl-, methyl ester.
Sources
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