- 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
- 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).
- 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 |
|---|---|---|---|
| ω | 0.3960 | Relay (1.0) Calculated Property | |
| ΔfH°gas | -502.39 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 11.21 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 45.57 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.83 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 1.452 | Crippen Calculated Property | |
| McVol | 116.930 | ml/mol | McGowan Calculated Property |
| Pc | 2862.74 | kPa | Joback Calculated Property |
| Inp | 763.00 | NIST | |
| Tboil | 376.18 | K | Relay (1.0) Calculated Property |
| Tc | 586.94 | K | Relay (1.0) Calculated Property |
| Tfus | 222.86 | K | Relay (1.0) Calculated Property |
| Vc | 0.417 | 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 | [233.88; 299.67] | J/mol×K | [417.10; 597.87] | 
|
| Cp,gas | 233.88 | J/mol×K | 417.10 | Joback Calculated Property |
| Cp,gas | 245.97 | J/mol×K | 447.23 | Joback Calculated Property |
| Cp,gas | 257.61 | J/mol×K | 477.36 | Joback Calculated Property |
| Cp,gas | 268.80 | J/mol×K | 507.49 | Joback Calculated Property |
| Cp,gas | 279.54 | J/mol×K | 537.61 | Joback Calculated Property |
| Cp,gas | 289.83 | J/mol×K | 567.74 | Joback Calculated Property |
| Cp,gas | 299.67 | J/mol×K | 597.87 | Joback Calculated Property |
| η | [0.0002339; 0.0208080] | Pa×s | [180.98; 417.10] |
|
| η | 0.0208080 | Pa×s | 180.98 | Joback Calculated Property |
| η | 0.0050492 | Pa×s | 220.33 | Joback Calculated Property |
| η | 0.0018820 | Pa×s | 259.69 | Joback Calculated Property |
| η | 0.0009095 | Pa×s | 299.04 | Joback Calculated Property |
| η | 0.0005205 | Pa×s | 338.39 | Joback Calculated Property |
| η | 0.0003347 | Pa×s | 377.75 | Joback Calculated Property |
| η | 0.0002339 | Pa×s | 417.10 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Butanoic acid, 2,3-dimethyl-, methyl ester.
Sources
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