- 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
- 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.
- 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 | 0.4236 | Relay (1.0) Calculated Property | |
| ΔfG° | -260.79 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -445.49 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 13.82 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 41.42 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.38 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.56 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.206 | Crippen Calculated Property | |
| McVol | 102.840 | ml/mol | McGowan Calculated Property |
| Pc | 3195.54 | kPa | Joback Calculated Property |
| Inp | 805.00 | NIST | |
| Tboil | 397.16 | K | Relay (1.0) Calculated Property |
| Tc | 573.39 | K | Relay (1.0) Calculated Property |
| Tfus | 174.65 | K | Relay (1.0) Calculated Property |
| Vc | 0.370 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [190.01; 242.95] | J/mol×K | [393.96; 568.57] | 
|
| Cp,gas | 190.01 | J/mol×K | 393.96 | Joback Calculated Property |
| Cp,gas | 199.95 | J/mol×K | 423.06 | Joback Calculated Property |
| Cp,gas | 209.42 | J/mol×K | 452.16 | Joback Calculated Property |
| Cp,gas | 218.45 | J/mol×K | 481.26 | Joback Calculated Property |
| Cp,gas | 227.03 | J/mol×K | 510.36 | Joback Calculated Property |
| Cp,gas | 235.19 | J/mol×K | 539.46 | Joback Calculated Property |
| Cp,gas | 242.95 | J/mol×K | 568.57 | Joback Calculated Property |
| η | [0.0003680; 0.0029066] | Pa×s | [201.08; 393.96] |
|
| η | 0.0029066 | Pa×s | 201.08 | Joback Calculated Property |
| η | 0.0016244 | Pa×s | 233.23 | Joback Calculated Property |
| η | 0.0010453 | Pa×s | 265.37 | Joback Calculated Property |
| η | 0.0007398 | Pa×s | 297.52 | Joback Calculated Property |
| η | 0.0005602 | Pa×s | 329.67 | Joback Calculated Property |
| η | 0.0004456 | Pa×s | 361.81 | Joback Calculated Property |
| η | 0.0003680 | Pa×s | 393.96 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Formic acid, 2-methylbutyl ester.
Sources
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