- InChI
- InChI=1S/C6H12O2/c1-5(2)6(3)8-4-7/h4-6H,1-3H3
- InChI Key
- XEQSPMCNFJQDHU-UHFFFAOYSA-N
- Formula
- C6H12O2
- SMILES
- CC(C)C(C)OC=O
- Molecular Weight1
- 116.16
- 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° | -209.76 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -395.53 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 7.73 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 37.30 | kJ/mol | Joback Calculated Property |
| log10WS | -1.07 | Crippen Calculated Property | |
| logPoct/wat | 1.204 | Crippen Calculated Property | |
| McVol | 102.840 | ml/mol | McGowan Calculated Property |
| Pc | 3376.28 | kPa | Joback Calculated Property |
| Inp | 763.00 | NIST | |
| Tboil | 406.88 | K | Joback Calculated Property |
| Tc | 587.63 | K | Joback Calculated Property |
| Tfus | 191.61 | K | Joback Calculated Property |
| Vc | 0.395 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [201.71; 257.51] | J/mol×K | [406.88; 587.63] | 
|
| Cp,gas | 201.71 | J/mol×K | 406.88 | Joback Calculated Property |
| Cp,gas | 211.86 | J/mol×K | 437.00 | Joback Calculated Property |
| Cp,gas | 221.67 | J/mol×K | 467.13 | Joback Calculated Property |
| Cp,gas | 231.14 | J/mol×K | 497.25 | Joback Calculated Property |
| Cp,gas | 240.27 | J/mol×K | 527.38 | Joback Calculated Property |
| Cp,gas | 249.06 | J/mol×K | 557.50 | Joback Calculated Property |
| Cp,gas | 257.51 | J/mol×K | 587.63 | Joback Calculated Property |
| η | [0.0002697; 0.0088875] | Pa×s | [191.61; 406.88] |
|
| η | 0.0088875 | Pa×s | 191.61 | Joback Calculated Property |
| η | 0.0031355 | Pa×s | 227.49 | Joback Calculated Property |
| η | 0.0014693 | Pa×s | 263.37 | Joback Calculated Property |
| η | 0.0008258 | Pa×s | 299.25 | Joback Calculated Property |
| η | 0.0005250 | Pa×s | 335.12 | Joback Calculated Property |
| η | 0.0003644 | Pa×s | 371.00 | Joback Calculated Property |
| η | 0.0002697 | Pa×s | 406.88 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Formic acid, 3-methylbut-2-yl ester.
Sources
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