- InChI
- InChI=1S/C6H10O/c1-6(7)4-2-3-5-6/h2,4,7H,3,5H2,1H3
- InChI Key
- DDZQTCKHBSEICB-UHFFFAOYSA-N
- Formula
- C6H10O
- SMILES
- CC1(O)C=CCC1
- Molecular Weight1
- 98.14
- 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).
- 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.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfG° | -76.16 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -185.90 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 4.24 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 45.03 | kJ/mol | Joback Calculated Property |
| log10WS | -1.46 | Crippen Calculated Property | |
| logPoct/wat | 1.087 | Crippen Calculated Property | |
| McVol | 86.110 | ml/mol | McGowan Calculated Property |
| Pc | 4815.84 | kPa | Joback Calculated Property |
| Inp | [1260.00; 1260.00] |
|
|
| Inp | 1260.00 | NIST | |
| Inp | 1260.00 | NIST | |
| Tboil | 443.54 | K | Joback Calculated Property |
| Tc | 641.23 | K | Joback Calculated Property |
| Tfus | 253.76 | K | Joback Calculated Property |
| Vc | 0.316 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [175.74; 230.98] | J/mol×K | [443.54; 641.23] |
|
| Cp,gas | 175.74 | J/mol×K | 443.54 | Joback Calculated Property |
| Cp,gas | 186.78 | J/mol×K | 476.49 | Joback Calculated Property |
| Cp,gas | 196.97 | J/mol×K | 509.44 | Joback Calculated Property |
| Cp,gas | 206.39 | J/mol×K | 542.38 | Joback Calculated Property |
| Cp,gas | 215.14 | J/mol×K | 575.33 | Joback Calculated Property |
| Cp,gas | 223.31 | J/mol×K | 608.28 | Joback Calculated Property |
| Cp,gas | 230.98 | J/mol×K | 641.23 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1-Methyl-2-cyclopenten-1-ol.
Sources
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