- InChI
- InChI=1S/C6H12O2/c1-3-6(2)4-8-5-7/h5-6H,3-4H2,1-2H3
- InChI Key
- DWORILFBIRYUDC-UHFFFAOYSA-N
- Formula
- C6H12O2
- SMILES
- CCC(C)COC=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° | -207.32 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -390.25 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 11.25 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 37.69 | kJ/mol | Joback Calculated Property |
| log10WS | -0.95 | Crippen Calculated Property | |
| logPoct/wat | 1.205 | Crippen Calculated Property | |
| McVol | 102.840 | ml/mol | McGowan Calculated Property |
| Pc | 3345.11 | kPa | Joback Calculated Property |
| Inp | 805.00 | NIST | |
| Tboil | 407.32 | K | Joback Calculated Property |
| Tc | 583.97 | K | Joback Calculated Property |
| Tfus | 206.61 | K | Joback Calculated Property |
| Vc | 0.401 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [201.69; 255.92] | J/mol×K | [407.32; 583.97] | 
|
| Cp,gas | 201.69 | J/mol×K | 407.32 | Joback Calculated Property |
| Cp,gas | 211.53 | J/mol×K | 436.76 | Joback Calculated Property |
| Cp,gas | 221.04 | J/mol×K | 466.20 | Joback Calculated Property |
| Cp,gas | 230.24 | J/mol×K | 495.64 | Joback Calculated Property |
| Cp,gas | 239.12 | J/mol×K | 525.08 | Joback Calculated Property |
| Cp,gas | 247.68 | J/mol×K | 554.53 | Joback Calculated Property |
| Cp,gas | 255.92 | J/mol×K | 583.97 | Joback Calculated Property |
| η | [0.0002801; 0.0052383] | Pa×s | [206.61; 407.32] |
|
| η | 0.0052383 | Pa×s | 206.61 | Joback Calculated Property |
| η | 0.0022883 | Pa×s | 240.06 | Joback Calculated Property |
| η | 0.0012241 | Pa×s | 273.51 | Joback Calculated Property |
| η | 0.0007505 | Pa×s | 306.97 | Joback Calculated Property |
| η | 0.0005066 | Pa×s | 340.42 | Joback Calculated Property |
| η | 0.0003668 | Pa×s | 373.87 | Joback Calculated Property |
| η | 0.0002801 | Pa×s | 407.32 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Formic acid, 2-methylbutyl ester.
Sources
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