- InChI
- InChI=1S/C6H10O/c1-5-2-3-6(7)4-5/h5H,2-4H2,1H3
- InChI Key
- AOKRXIIIYJGNNU-UHFFFAOYSA-N
- Formula
- C6H10O
- SMILES
- CC1CCC(=O)C1
- Molecular Weight1
- 98.14
- CAS
- 1757-42-2
- Other Names
-
- 3-Methyl-1-cyclopentanone
- 3-Methylcyclopentanone
- DL-3-methylcyclopentanone
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- EA : Electron affinity (eV).
- 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).
- Inp : Non-polar retention indices.
- I : 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 |
|---|---|---|---|
| ΔcH°liquid | -3516.00 | kJ/mol | NIST |
| EA | 0.00 ± 0.00 | eV | NIST |
| ΔfG° | -86.40 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -244.39 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 4.74 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 33.45 | kJ/mol | Joback Calculated Property |
| log10WS | -1.27 | Crippen 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 | [811.90; 868.00] |
|
|
| Inp | 858.00 | NIST | |
| Inp | 811.90 | NIST | |
| Inp | 847.60 | NIST | |
| Inp | 868.00 | NIST | |
| Inp | 847.50 | NIST | |
| Inp | 854.00 | NIST | |
| Inp | 821.00 | NIST | |
| Inp | 817.00 | NIST | |
| Inp | 846.00 | NIST | |
| Inp | 858.00 | NIST | |
| I | [1218.00; 1226.00] |
|
|
| I | 1218.00 | NIST | |
| I | 1226.00 | NIST | |
| I | 1225.00 | NIST | |
| Tboil | [417.25; 418.20] | K |
|
| Tboil | 418.20 | K | NIST |
| Tboil | 417.25 ± 0.40 | K | NIST |
| Tc | 637.42 | K | Joback Calculated Property |
| Tfus | [214.75; 215.15] | K |
|
| Tfus | 215.15 ± 3.00 | K | NIST |
| Tfus | 214.75 ± 0.40 | K | NIST |
| Vc | 0.320 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [165.13; 236.80] | J/mol×K | [419.78; 637.42] |
|
| Cp,gas | 165.13 | J/mol×K | 419.78 | Joback Calculated Property |
| Cp,gas | 178.43 | J/mol×K | 456.05 | Joback Calculated Property |
| Cp,gas | 191.20 | J/mol×K | 492.33 | Joback Calculated Property |
| Cp,gas | 203.42 | J/mol×K | 528.60 | Joback Calculated Property |
| Cp,gas | 215.09 | J/mol×K | 564.87 | Joback Calculated Property |
| Cp,gas | 226.22 | J/mol×K | 601.15 | Joback Calculated Property |
| Cp,gas | 236.80 | J/mol×K | 637.42 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Cyclopentanone, 3-methyl-.
Sources
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