- InChI
- InChI=1S/C8H14O/c1-7-3-2-4-8(9)6-5-7/h7H,2-6H2,1H3/t7-/m0/s1
- InChI Key
- WXVNSHRGPVHBPD-ZETCQYMHSA-N
- Formula
- C8H14O
- SMILES
- CC1CCCC(=O)CC1
- Molecular Weight1
- 126.20
- CAS
- 13609-59-1
- Other Names
-
- Cycloheptanone, 4-methyl-, (-)-
- ω : Acentric Factor.
- 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).
- 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 |
|---|---|---|---|
| ω | 0.3457 | Relay (... Calculated Property | |
| ΔfG° | -93.76 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -279.17 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 5.72 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 48.31 | kJ/mol | Relay (... Calculated Property |
| IE | 9.12 | eV | Relay (... Calculated Property |
| log10WS | -1.56 | Relay (... Calculated Property | |
| logPoct/wat | 2.156 | Crippen Calculated Property | |
| McVol | 114.290 | ml/mol | McGowan Calculated Property |
| Pc | 3376.28 | kPa | Joback Calculated Property |
| Tboil | 462.55 | K | Relay (... Calculated Property |
| Tc | 674.28 | K | Relay (... Calculated Property |
| Tfus | 231.10 | K | Relay (... Calculated Property |
| Vc | 0.383 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [246.33; 342.21] | J/mol×K | [474.08; 703.31] | 
|
| Cp,gas | 246.33 | J/mol×K | 474.08 | Joback Calculated Property |
| Cp,gas | 264.39 | J/mol×K | 512.28 | Joback Calculated Property |
| Cp,gas | 281.64 | J/mol×K | 550.49 | Joback Calculated Property |
| Cp,gas | 298.06 | J/mol×K | 588.69 | Joback Calculated Property |
| Cp,gas | 313.64 | J/mol×K | 626.90 | Joback Calculated Property |
| Cp,gas | 328.36 | J/mol×K | 665.10 | Joback Calculated Property |
| Cp,gas | 342.21 | J/mol×K | 703.31 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Cycloheptanone, 4-methyl-, (R)-.
Sources
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