- InChI
- InChI=1S/C11H12O/c12-11-8-4-2-6-9-5-1-3-7-10(9)11/h1,3,5,7H,2,4,6,8H2
- InChI Key
- KWHUHTFXMNQHAA-UHFFFAOYSA-N
- Formula
- C11H12O
- SMILES
- O=C1CCCCc2ccccc21
- Molecular Weight1
- 160.21
- CAS
- 826-73-3
- Other Names
-
- 5H-Benzocyclohepten-5-one, 6,7,8,9-tetrahydro-
- Benzosuberone
- «alpha»-Benzosuberone
- Benzo(b)cycloheptan-1-one
- Benzsuberone
- 1-Benzosuberanone
- 2,3-Benzosuberone
- 5-Benzocycloheptanone
- 6,7,8,9-Tetrahydrobenzobicyclohepten-5-one
- 6,7,8,9-Tetrahydrobenzocyclohepten-5-one
- 6,7,8,9-Tetrahydro-5H-benzocyclohepten-5-one
- NSC 87961
- 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).
- 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).
- 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° | 66.19 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -102.19 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 10.27 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 47.83 | kJ/mol | Joback Calculated Property |
| log10WS | -3.25 | Crippen Calculated Property | |
| logPoct/wat | 2.596 | Crippen Calculated Property | |
| McVol | 132.800 | ml/mol | McGowan Calculated Property |
| Pc | 3419.86 | kPa | Joback Calculated Property |
| Tboil | 543.20 | K | NIST |
| Tc | 823.95 | K | Joback Calculated Property |
| Tfus | 336.03 | K | Joback Calculated Property |
| Vc | 0.492 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [315.41; 402.83] | J/mol×K | [570.51; 823.95] | 
|
| Cp,gas | 315.41 | J/mol×K | 570.51 | Joback Calculated Property |
| Cp,gas | 332.90 | J/mol×K | 612.75 | Joback Calculated Property |
| Cp,gas | 349.17 | J/mol×K | 654.99 | Joback Calculated Property |
| Cp,gas | 364.27 | J/mol×K | 697.23 | Joback Calculated Property |
| Cp,gas | 378.22 | J/mol×K | 739.47 | Joback Calculated Property |
| Cp,gas | 391.07 | J/mol×K | 781.71 | Joback Calculated Property |
| Cp,gas | 402.83 | J/mol×K | 823.95 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1-Benzosuberone.
Sources
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