- InChI
- InChI=1S/C7H14O2/c1-4-6(8)5-7(2,3)9/h9H,4-5H2,1-3H3
- InChI Key
- NZOHNQRAGPQKMX-UHFFFAOYSA-N
- Formula
- C7H14O2
- SMILES
- CCC(=O)CC(C)(C)O
- 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° | -254.84 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -461.37 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 12.16 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 53.31 | kJ/mol | Joback Calculated Property |
| log10WS | -1.41 | Crippen Calculated Property | |
| logPoct/wat | 1.127 | Crippen Calculated Property | |
| McVol | 116.930 | ml/mol | McGowan Calculated Property |
| Pc | 3395.98 | kPa | Joback Calculated Property |
| Inp | [1016.00; 1016.00] |
|
|
| Inp | 1016.00 | NIST | |
| Inp | 1016.00 | NIST | |
| Tboil | 502.38 | K | Joback Calculated Property |
| Tc | 682.23 | K | Joback Calculated Property |
| Tfus | 281.82 | K | Joback Calculated Property |
| Vc | 0.442 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [268.88; 325.33] | J/mol×K | [502.38; 682.23] |
|
| Cp,gas | 268.88 | J/mol×K | 502.38 | Joback Calculated Property |
| Cp,gas | 279.60 | J/mol×K | 532.36 | Joback Calculated Property |
| Cp,gas | 289.76 | J/mol×K | 562.33 | Joback Calculated Property |
| Cp,gas | 299.40 | J/mol×K | 592.31 | Joback Calculated Property |
| Cp,gas | 308.52 | J/mol×K | 622.28 | Joback Calculated Property |
| Cp,gas | 317.16 | J/mol×K | 652.26 | Joback Calculated Property |
| Cp,gas | 325.33 | J/mol×K | 682.23 | Joback Calculated Property |
| η | [0.0001723; 0.0242619] | Pa×s | [281.82; 502.38] |
|
| η | 0.0242619 | Pa×s | 281.82 | Joback Calculated Property |
| η | 0.0066100 | Pa×s | 318.58 | Joback Calculated Property |
| η | 0.0023568 | Pa×s | 355.34 | Joback Calculated Property |
| η | 0.0010196 | Pa×s | 392.10 | Joback Calculated Property |
| η | 0.0005092 | Pa×s | 428.86 | Joback Calculated Property |
| η | 0.0002838 | Pa×s | 465.62 | Joback Calculated Property |
| η | 0.0001723 | Pa×s | 502.38 | Joback Calculated Property |
Similar Compounds
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Sources
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