- InChI
- InChI=1S/C7H14O2/c1-6(9-5-8)7(2,3)4/h5-6H,1-4H3
- InChI Key
- NQDIBLMCETWWEX-UHFFFAOYSA-N
- Formula
- C7H14O2
- SMILES
- CC(OC=O)C(C)(C)C
- Molecular Weight1
- 130.18
- 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° | -196.06 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -419.64 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 6.43 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 38.62 | kJ/mol | Joback Calculated Property |
| log10WS | -1.49 | Crippen Calculated Property | |
| logPoct/wat | 1.594 | Crippen Calculated Property | |
| McVol | 116.930 | ml/mol | McGowan Calculated Property |
| Pc | 3065.95 | kPa | Joback Calculated Property |
| Inp | 818.00 | NIST | |
| Tboil | 426.97 | K | Joback Calculated Property |
| Tc | 613.91 | K | Joback Calculated Property |
| Tfus | 220.30 | K | Joback Calculated Property |
| Vc | 0.446 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [242.49; 308.31] | J/mol×K | [426.97; 613.91] | 
|
| Cp,gas | 242.49 | J/mol×K | 426.97 | Joback Calculated Property |
| Cp,gas | 254.84 | J/mol×K | 458.13 | Joback Calculated Property |
| Cp,gas | 266.61 | J/mol×K | 489.28 | Joback Calculated Property |
| Cp,gas | 277.83 | J/mol×K | 520.44 | Joback Calculated Property |
| Cp,gas | 288.51 | J/mol×K | 551.60 | Joback Calculated Property |
| Cp,gas | 298.66 | J/mol×K | 582.75 | Joback Calculated Property |
| Cp,gas | 308.31 | J/mol×K | 613.91 | Joback Calculated Property |
| η | [0.0002875; 0.0089081] | Pa×s | [220.30; 426.97] |
|
| η | 0.0089081 | Pa×s | 220.30 | Joback Calculated Property |
| η | 0.0034139 | Pa×s | 254.75 | Joback Calculated Property |
| η | 0.0016442 | Pa×s | 289.19 | Joback Calculated Property |
| η | 0.0009251 | Pa×s | 323.63 | Joback Calculated Property |
| η | 0.0005814 | Pa×s | 358.08 | Joback Calculated Property |
| η | 0.0003964 | Pa×s | 392.52 | Joback Calculated Property |
| η | 0.0002875 | Pa×s | 426.97 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Formic acid, 3,3-dimethylbut-2-yl ester.
Sources
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