- InChI
- InChI=1S/C8H16O/c1-2-7-5-3-4-6-8(7)9/h7-9H,2-6H2,1H3
- InChI Key
- CFYUBZHJDXXXQE-UHFFFAOYSA-N
- Formula
- C8H16O
- SMILES
- CCC1CCCCC1O
- Molecular Weight1
- 128.21
- CAS
- 3760-20-1
- Other Names
-
- 2-Ethylcyclohexanol
- 2-Ethylcyclohexanol(c,t)
- Cyclohexanol, 2-ethyl-
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Pvap : Vapor 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 | 0.4826 | Relay (1.0) Calculated Property | |
| ΔfG° | -103.60 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -314.99 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 13.47 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 68.28 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.49 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 1.948 | Crippen Calculated Property | |
| McVol | 118.590 | ml/mol | McGowan Calculated Property |
| Pc | 3372.36 | kPa | Joback Calculated Property |
| Tboil | 459.66 | K | Relay (1.0) Calculated Property |
| Tc | 670.99 | K | Relay (1.0) Calculated Property |
| Tfus | 251.94 | K | Relay (1.0) Calculated Property |
| Vc | 0.412 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Log10 of Water solubility in mol/l for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [151.84; 442.46] | 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 | -5.87590e+01 | |||
| Coefficient B | 8.93420e-01 | |||
| Coefficient C | -4.67400e-04 | |||
| Coefficient D | 7.52000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 151.84 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 202.14 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 247.39 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 287.82 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 323.66 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 355.16 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 382.55 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 406.07 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 425.96 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 442.46 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0447466; 0.0002191] | Pa×s | [243.88; 476.04] |
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 | -1.40133e+01 | |||
| Coefficient B | 2.65989e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 243.88 | |||
| Temperature range, max. | 476.04 | |||
| η | 0.0447466 | Pa×s | 243.88 | Calculated Property |
| η | 0.0157644 | Pa×s | 269.68 | Calculated Property |
| η | 0.0066636 | Pa×s | 295.47 | Calculated Property |
| η | 0.0032344 | Pa×s | 321.27 | Calculated Property |
| η | 0.0017480 | Pa×s | 347.06 | Calculated Property |
| η | 0.0010286 | Pa×s | 372.86 | Calculated Property |
| η | 0.0006483 | Pa×s | 398.65 | Calculated Property |
| η | 0.0004322 | Pa×s | 424.45 | Calculated Property |
| η | 0.0003018 | Pa×s | 450.25 | Calculated Property |
| η | 0.0002191 | Pa×s | 476.04 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [333.11; 493.35] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.38077e+01 | |||
| Coefficient B | -3.66385e+03 | |||
| Coefficient C | -6.21190e+01 | |||
| Temperature range, min. | 333.11 | |||
| Temperature range, max. | 493.35 | |||
| Pvap | 1.33 | kPa | 333.11 | Calculated Property |
| Pvap | 3.07 | kPa | 350.91 | Calculated Property |
| Pvap | 6.41 | kPa | 368.72 | Calculated Property |
| Pvap | 12.35 | kPa | 386.52 | Calculated Property |
| Pvap | 22.22 | kPa | 404.33 | Calculated Property |
| Pvap | 37.74 | kPa | 422.13 | Calculated Property |
| Pvap | 60.96 | kPa | 439.94 | Calculated Property |
| Pvap | 94.32 | kPa | 457.74 | Calculated Property |
| Pvap | 140.55 | kPa | 475.55 | Calculated Property |
| Pvap | 202.64 | kPa | 493.35 | Calculated Property |
Similar Compounds
Find more compounds similar to 2-Ethylcyclohexanol,c&t.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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