- InChI
- InChI=1S/C7H10O/c8-7-5-3-1-2-4-6-7/h1,3H,2,4-6H2
- InChI Key
- PKTLJWUNHIKVME-UHFFFAOYSA-N
- Formula
- C7H10O
- SMILES
- O=C1CC=CCCC1
- Molecular Weight1
- 110.15
- CAS
- 1121-64-8
- Other Names
-
- 3-Cycloheptenone
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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 |
|---|---|---|---|
| ΔfG° | -64.51 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -199.23 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 3.28 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 36.62 | kJ/mol | Joback Calculated Property |
| IE | 9.14 | eV | NIST |
| log10WS | -1.78 | Crippen Calculated Property | |
| logPoct/wat | 1.686 | Crippen Calculated Property | |
| McVol | 95.900 | ml/mol | McGowan Calculated Property |
| Pc | 4130.29 | kPa | Joback Calculated Property |
| Inp | [821.00; 826.00] |
|
|
| Inp | 821.00 | NIST | |
| Inp | 826.00 | NIST | |
| Tboil | 455.03 | K | Joback Calculated Property |
| Tc | 690.86 | K | Joback Calculated Property |
| Tfus | 245.73 | K | Joback Calculated Property |
| Vc | 0.346 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [187.47; 266.87] | J/mol×K | [455.03; 690.86] |
|
| Cp,gas | 187.47 | J/mol×K | 455.03 | Joback Calculated Property |
| Cp,gas | 202.54 | J/mol×K | 494.34 | Joback Calculated Property |
| Cp,gas | 216.89 | J/mol×K | 533.64 | Joback Calculated Property |
| Cp,gas | 230.50 | J/mol×K | 572.95 | Joback Calculated Property |
| Cp,gas | 243.38 | J/mol×K | 612.25 | Joback Calculated Property |
| Cp,gas | 255.51 | J/mol×K | 651.56 | Joback Calculated Property |
| Cp,gas | 266.87 | J/mol×K | 690.86 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Cyclohepten-1-one.
Sources
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