- InChI
- InChI=1S/C5H8O/c6-5-3-1-2-4-5/h1,3,5-6H,2,4H2
- InChI Key
- PSBABBDEUFNFKJ-UHFFFAOYSA-N
- Formula
- C5H8O
- SMILES
- OC1C=CCC1
- Molecular Weight1
- 84.12
- CAS
- 3212-60-0
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- 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 | 0.4371 | Relay (1.0) Calculated Property | |
| ΔfH°gas | -131.90 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 7.95 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 57.01 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.60 ± 0.05 | eV | NIST |
| logPoct/wat | 0.697 | Crippen Calculated Property | |
| McVol | 72.020 | ml/mol | McGowan Calculated Property |
| Pc | 5175.72 | kPa | Joback Calculated Property |
| Tboil | 411.83 | K | Relay (1.0) Calculated Property |
| Tc | 612.57 | K | Relay (1.0) Calculated Property |
| Tfus | 215.60 ± 0.60 | K | NIST |
| Vc | 0.261 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Standard Gibbs free energy of formation, 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 | [84.35; 247.95] | 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 | -4.90700e+01 | |||
| Coefficient B | 5.88500e-01 | |||
| Coefficient C | -3.93280e-04 | |||
| Coefficient D | 1.01800e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 84.35 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 114.41 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 140.75 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 163.69 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 183.55 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 200.66 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 215.33 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 227.89 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 238.65 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 247.95 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0587888; 0.0002832] | Pa×s | [215.60; 428.36] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.35758e+01 | |||
| Coefficient B | 2.31597e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 215.60 | |||
| Temperature range, max. | 428.36 | |||
| η | 0.0587888 | Pa×s | 215.60 | Calculated Property |
| η | 0.0203382 | Pa×s | 239.24 | Calculated Property |
| η | 0.0085161 | Pa×s | 262.88 | Calculated Property |
| η | 0.0041168 | Pa×s | 286.52 | Calculated Property |
| η | 0.0022233 | Pa×s | 310.16 | Calculated Property |
| η | 0.0013102 | Pa×s | 333.80 | Calculated Property |
| η | 0.0008280 | Pa×s | 357.44 | Calculated Property |
| η | 0.0005540 | Pa×s | 381.08 | Calculated Property |
| η | 0.0003884 | Pa×s | 404.72 | Calculated Property |
| η | 0.0002832 | Pa×s | 428.36 | Calculated Property |
Similar Compounds
Find more compounds similar to cyclopent-2-en-1-ol.
Sources
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