- InChI
- InChI=1S/C7H12O/c1-3-4-5-6-7(2)8/h5-6H,3-4H2,1-2H3/b6-5+
- InChI Key
- JHHZQADGLDKIPM-AATRIKPKSA-N
- Formula
- C7H12O
- SMILES
- CCCC=CC(C)=O
- Molecular Weight1
- 112.17
- CAS
- 1119-44-4
- Other Names
-
- Hept-3-en-2-one
- 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° | -40.64 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -183.17 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 15.69 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 37.88 | kJ/mol | Joback Calculated Property |
| log10WS | -1.89 | Crippen Calculated Property | |
| logPoct/wat | 1.932 | Crippen Calculated Property | |
| McVol | 106.760 | ml/mol | McGowan Calculated Property |
| Pc | 3173.97 | kPa | Joback Calculated Property |
| Inp | [940.00; 942.00] |
|
|
| Inp | 942.00 | NIST | |
| Inp | 940.00 | NIST | |
| Inp | 942.00 | NIST | |
| Tboil | 417.59 | K | Joback Calculated Property |
| Tc | 603.10 | K | Joback Calculated Property |
| Tfus | 213.50 | K | Joback Calculated Property |
| Vc | 0.413 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [200.10; 258.95] | J/mol×K | [417.59; 603.10] |
|
| Cp,gas | 200.10 | J/mol×K | 417.59 | Joback Calculated Property |
| Cp,gas | 211.15 | J/mol×K | 448.51 | Joback Calculated Property |
| Cp,gas | 221.68 | J/mol×K | 479.43 | Joback Calculated Property |
| Cp,gas | 231.70 | J/mol×K | 510.34 | Joback Calculated Property |
| Cp,gas | 241.24 | J/mol×K | 541.26 | Joback Calculated Property |
| Cp,gas | 250.32 | J/mol×K | 572.18 | Joback Calculated Property |
| Cp,gas | 258.95 | J/mol×K | 603.10 | Joback Calculated Property |
| η | [0.0002491; 0.0038148] | Pa×s | [213.50; 417.59] |
|
| η | 0.0038148 | Pa×s | 213.50 | Joback Calculated Property |
| η | 0.0017711 | Pa×s | 247.51 | Joback Calculated Property |
| η | 0.0009898 | Pa×s | 281.53 | Joback Calculated Property |
| η | 0.0006271 | Pa×s | 315.54 | Joback Calculated Property |
| η | 0.0004342 | Pa×s | 349.56 | Joback Calculated Property |
| η | 0.0003209 | Pa×s | 383.57 | Joback Calculated Property |
| η | 0.0002491 | Pa×s | 417.59 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Hepten-2-one.
Sources
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