- InChI
- InChI=1S/C8H14O/c1-7-3-2-4-8(9)6-5-7/h7H,2-6H2,1H3/t7-/m1/s1
- InChI Key
- WXVNSHRGPVHBPD-SSDOTTSWSA-N
- Formula
- C8H14O
- SMILES
- C[C@@H]1CCCC(=O)CC1
- Molecular Weight1
- 126.20
- 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 | 0.3260 | Relay (1.0) Calculated Property | |
| ΔfG° | -93.76 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -286.99 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 5.72 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 49.86 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.45 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.46 | Relay (1.0) 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 | 463.95 | K | Relay (1.0) Calculated Property |
| Tc | 671.44 | K | Relay (1.0) Calculated Property |
| Tfus | 250.46 | K | Relay (1.0) Calculated Property |
| Vc | 0.399 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [138.55; 418.04] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -3.86800e+01 | |||
| Coefficient B | 7.08020e-01 | |||
| Coefficient C | -2.02000e-04 | |||
| Coefficient D | -4.93000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 138.55 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 184.34 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 226.80 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 265.79 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 301.16 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 332.73 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 360.36 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 383.89 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 403.17 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 418.04 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Cycloheptanone, 4-methyl-, (R)-.
Sources
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