- InChI
- InChI=1S/C6H10O/c1-5-2-3-6(7)4-5/h5H,2-4H2,1H3/t5-/m0/s1
- InChI Key
- AOKRXIIIYJGNNU-YFKPBYRVSA-N
- Formula
- C6H10O
- SMILES
- CC1CCC(=O)C1
- Molecular Weight1
- 98.14
- CAS
- 6672-30-6
- Other Names
-
- Cyclopentanone, 3-methyl-, (R)-
- (+)-3-methylcyclopentanone
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- 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.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfusH° | 4.74 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 41.83 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.40 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 1.375 | Crippen Calculated Property | |
| McVol | 86.110 | ml/mol | McGowan Calculated Property |
| Pc | 4010.84 | kPa | Joback Calculated Property |
| Inp | [847.60; 847.60] |
|
|
| Inp | 847.60 | NIST | |
| Inp | 847.60 | NIST | |
| Tboil | 416.70 | K | NIST |
| Tc | 628.69 | K | Relay (1.0) Calculated Property |
| Tfus | 213.03 | K | Relay (1.0) Calculated Property |
| Vc | 0.302 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [105.91; 311.30] | 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 | -2.66200e+01 | |||
| Coefficient B | 5.37220e-01 | |||
| Coefficient C | -1.86000e-04 | |||
| Coefficient D | -1.33000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 105.91 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 139.57 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 170.62 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 199.01 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 224.71 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 247.67 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 267.85 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 285.21 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 299.71 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 311.30 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to (R)-(+)-3-Methylcyclopentanone.
Sources
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