- InChI
- InChI=1S/C6H12O2/c1-6(2,3)4-8-5-7/h5H,4H2,1-3H3
- InChI Key
- DGMIPKNXUDSQGI-UHFFFAOYSA-N
- Formula
- C6H12O2
- SMILES
- CC(C)(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° | -202.04 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -393.72 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 7.36 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 36.78 | 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 | 3388.08 | kPa | Joback Calculated Property |
| Inp | [738.00; 738.00] |
|
|
| Inp | 738.00 | NIST | |
| Inp | 738.00 | NIST | |
| Tboil | 404.53 | K | Joback Calculated Property |
| Tc | 588.60 | K | Joback Calculated Property |
| Tfus | 224.03 | K | Joback Calculated Property |
| Vc | 0.396 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [203.67; 261.33] | J/mol×K | [404.53; 588.60] |
|
| Cp,gas | 203.67 | J/mol×K | 404.53 | Joback Calculated Property |
| Cp,gas | 214.45 | J/mol×K | 435.21 | Joback Calculated Property |
| Cp,gas | 224.75 | J/mol×K | 465.89 | Joback Calculated Property |
| Cp,gas | 234.57 | J/mol×K | 496.56 | Joback Calculated Property |
| Cp,gas | 243.93 | J/mol×K | 527.24 | Joback Calculated Property |
| Cp,gas | 252.85 | J/mol×K | 557.92 | Joback Calculated Property |
| Cp,gas | 261.33 | J/mol×K | 588.60 | Joback Calculated Property |
| η | [0.0003164; 0.0054671] | Pa×s | [224.03; 404.53] |
|
| η | 0.0054671 | Pa×s | 224.03 | Joback Calculated Property |
| η | 0.0025670 | Pa×s | 254.11 | Joback Calculated Property |
| η | 0.0014145 | Pa×s | 284.20 | Joback Calculated Property |
| η | 0.0008736 | Pa×s | 314.28 | Joback Calculated Property |
| η | 0.0005870 | Pa×s | 344.36 | Joback Calculated Property |
| η | 0.0004204 | Pa×s | 374.45 | Joback Calculated Property |
| η | 0.0003164 | Pa×s | 404.53 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Formic acid, neopentyl ester.
Sources
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