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- InChI
- InChI=1S/C6H12O/c7-6-4-2-1-3-5-6/h6-7H,1-5H2
- InChI Key
- HPXRVTGHNJAIIH-UHFFFAOYSA-N
- Formula
- C6H12O
- SMILES
- OC1CCCCC1
- Molecular Weight1
- 100.16
- CAS
- 108-93-0
- Other Names
- 1-Cyclohexanol
- Adronal
- Adronol
- Anol
- Cicloesanolo
- Cyclohexane, hydroxy-
- Cyclohexyl alcohol
- Cykloheksanol
- Hexahydrophenol
- Hexalin
- Hydralin
- Hydrophenol
- Hydroxycyclohexane
- NSC 403656
- Naxol
- Phenol, hexahydro-
- Sources
- ΔcH°liquid: Standard liquid enthalpy of combustion (kJ/mol).
- Cp,gas: Ideal gas heat capacity (J/mol×K).
- Cp,liquid: Liquid phase 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).
- ΔfH°liquid: Liquid phase enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH°: Enthalpy of fusion at standard conditions (kJ/mol).
- ΔfusH: Enthalpy of fusion at a given temperature (kJ/mol).
- ΔsubH: Enthalpy of sublimation at a given temperature (kJ/mol).
- ΔvapH°: Enthalpy of vaporization at standard conditions (kJ/mol).
- ΔvapH: Enthalpy of vaporization at a given temperature (kJ/mol).
- IE: Ionization energy (eV).
- logPoct/wat: Octanol/Water partition coefficient.
- Pc: Critical Pressure (kPa).
- ΔfusS: Entropy of fusion at a given temperature (J/mol×K).
- S°gas: Molar entropy at standard conditions (J/mol×K).
- S°liquid: Liquid phase molar entropy at standard conditions (J/mol×K).
- Tboil: Normal Boiling Point Temperature (K).
- Tc: Critical Temperature (K).
- Tfus: Normal melting (fusion) point (K).
- Ttriple: Triple Point Temperature (K).
- Vc: Critical Volume (m3/kg-mol).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔcH°liquid | [-3753.00; -3720.83] | kJ/mol | 
|
| ΔcH°liquid | -3726.00 ± 2.00 | kJ/mol | NIST |
| ΔcH°liquid | -3728.70 ± 2.20 | kJ/mol | NIST |
| ΔcH°liquid | -3727.00 ± 1.80 | kJ/mol | NIST |
| ΔcH°liquid | -3722.50 | kJ/mol | NIST |
| ΔcH°liquid | -3720.83 | kJ/mol | NIST |
| ΔcH°liquid | Outlier -3753.00 | kJ/mol | NIST |
| ΔfG° | -112.73 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | [-298.00; -286.20] | kJ/mol |
|
| ΔfH°gas | -286.80 | kJ/mol | NIST |
| ΔfH°gas | -290.80 | kJ/mol | NIST |
| ΔfH°gas | -288.80 | kJ/mol | NIST |
| ΔfH°gas | -286.20 | kJ/mol | NIST |
| ΔfH°gas | -288.00 | kJ/mol | NIST |
| ΔfH°gas | Outlier -298.00 | kJ/mol | NIST |
| ΔfH°liquid | [-359.20; -347.40] | kJ/mol |
|
| ΔfH°liquid | -352.00 ± 0.67 | kJ/mol | NIST |
| ΔfH°liquid | -350.00 ± 2.00 | kJ/mol | NIST |
| ΔfH°liquid | -347.40 ± 2.20 | kJ/mol | NIST |
| ΔfH°liquid | -349.20 ± 0.20 | kJ/mol | NIST |
| ΔfH°liquid | -359.20 | kJ/mol | NIST |
| ΔfusH° | 7.22 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [42.43; 63.50] | kJ/mol |
|
| ΔvapH° | 62.02 | kJ/mol | NIST |
| ΔvapH° | 62.00 ± 0.30 | kJ/mol | NIST |
| ΔvapH° | 61.80 ± 0.60 | kJ/mol | NIST |
| ΔvapH° | 63.50 ± 0.70 | kJ/mol | NIST |
| ΔvapH° | 61.30 | kJ/mol | NIST |
| ΔvapH° | 62.00 ± 0.90 | kJ/mol | NIST |
| ΔvapH° | 62.00 ± 0.20 | kJ/mol | NIST |
| ΔvapH° | 62.00 ± 0.30 | kJ/mol | NIST |
| ΔvapH° | 62.01 | kJ/mol | NIST |
| ΔvapH° | 61.20 | kJ/mol | NIST |
| ΔvapH° | Outlier 42.43 | kJ/mol | NIST |
| IE | 9.75 | eV | NIST |
| IE | 10.00 ± 0.20 | eV | NIST |
| IE | 10.00 | eV | NIST |
| logPoct/wat | 1.31 | Crippen Calculated Property | |
| Pc | [3749.02; 4401.00] | kPa |
|
| Pc | 4080.00 ± 150.00 | kPa | NIST |
| Pc | 4401.00 ± 25.00 | kPa | NIST |
| Pc | 4260.00 ± 50.00 | kPa | NIST |
| Pc | 4260.00 ± 50.00 | kPa | NIST |
| Pc | 3749.02 ± 151.99 | kPa | NIST |
| S°gas | 353.83 | J/mol×K | NIST |
| S°liquid | 203.87 | J/mol×K | NIST |
| S°liquid | 199.60 | J/mol×K | NIST |
| Tboil | [394.75; 435.60] | K |
|
| Tboil | Outlier 394.75 ± 0.15 | K | NIST |
| Tboil | 434.30 | K | NIST |
| Tboil | 434.65 ± 1.00 | K | NIST |
| Tboil | 434.40 ± 0.50 | K | NIST |
| Tboil | 434.15 ± 1.50 | K | NIST |
| Tboil | 430.80 ± 2.00 | K | NIST |
| Tboil | 431.00 ± 4.00 | K | NIST |
| Tboil | 432.15 ± 1.50 | K | NIST |
| Tboil | 433.80 ± 0.30 | K | NIST |
| Tboil | 433.80 ± 0.30 | K | NIST |
| Tboil | 434.25 ± 0.30 | K | NIST |
| Tboil | 433.15 ± 5.00 | K | NIST |
| Tboil | 433.80 ± 0.30 | K | NIST |
| Tboil | 435.60 ± 0.50 | K | NIST |
| Tboil | 433.90 ± 0.50 | K | NIST |
| Tboil | 433.80 ± 0.50 | K | NIST |
| Tboil | 433.90 ± 0.50 | K | NIST |
| Tboil | 433.95 ± 0.50 | K | NIST |
| Tboil | 431.00 ± 8.00 | K | NIST |
| Tboil | 434.10 ± 2.00 | K | NIST |
| Tboil | 432.00 ± 6.00 | K | NIST |
| Tc | [625.15; 650.00] | K |
|
| Tc | 648.00 ± 2.00 | K | NIST |
| Tc | 647.10 ± 0.30 | K | NIST |
| Tc | 650.00 ± 2.00 | K | NIST |
| Tc | 650.00 ± 2.00 | K | NIST |
| Tc | Outlier 625.15 ± 1.50 | K | NIST |
| Tc | 650.00 ± 2.00 | K | NIST |
| Tfus | [290.00; 298.60] | K |
|
| Tfus | 297.06 ± 0.50 | K | NIST |
| Tfus | 296.20 ± 0.30 | K | NIST |
| Tfus | 298.60 ± 0.20 | K | NIST |
| Tfus | 298.30 ± 0.20 | K | NIST |
| Tfus | 298.00 ± 1.50 | K | NIST |
| Tfus | 297.05 ± 0.50 | K | NIST |
| Tfus | 297.02 ± 0.20 | K | NIST |
| Tfus | 296.00 ± 3.00 | K | NIST |
| Tfus | Outlier 290.00 ± 4.00 | K | NIST |
| Ttriple | 299.09 ± 0.02 | K | NIST |
| Ttriple | 297.00 ± 0.20 | K | NIST |
| Vc | 0.32 | m3/kg-mol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | 188.35 | J/mol×K | 448.41 | Joback Calculated Property |
| Cp,liquid | [174.90; 220.10] | J/mol×K | [290.00; 305.10] |
|
 | ||||
| Cp,liquid | 174.90 | J/mol×K | 290.0 | NIST |
| Cp,liquid | 212.00 | J/mol×K | 297.95 | NIST |
| Cp,liquid | 220.10 | J/mol×K | 298.0 | NIST |
| Cp,liquid | 214.06 | J/mol×K | 298.15 | NIST |
| Cp,liquid | 209.99 | J/mol×K | 298.15 | NIST |
| Cp,liquid | 209.03 | J/mol×K | 298.15 | NIST |
| Cp,liquid | 213.59 | J/mol×K | 300.0 | NIST |
| Cp,liquid | 202.50 | J/mol×K | 305.1 | NIST |
| η | 0.00 | Pa×s | 448.41 | Joback Calculated Property |
| ΔfusH | 8.21 | kJ/mol | 263.5 | NIST |
| ΔfusH | 1.70 | kJ/mol | 297.0 | NIST |
| ΔsubH | 60.70 | kJ/mol | 285.0 | NIST |
| ΔvapH | [45.44; 62.70] | kJ/mol | [308.00; 431.70] |
|
 | ||||
| ΔvapH | 61.20 ± 0.60 | kJ/mol | 308.0 | NIST |
| ΔvapH | 60.40 | kJ/mol | 309.0 | NIST |
| ΔvapH | 58.40 | kJ/mol | 338.0 | NIST |
| ΔvapH | 54.80 | kJ/mol | 364.5 | NIST |
| ΔvapH | 62.70 | kJ/mol | 367.0 | NIST |
| ΔvapH | 59.90 | kJ/mol | 376.0 | NIST |
| ΔvapH | 60.10 | kJ/mol | 377.5 | NIST |
| ΔvapH | 52.60 | kJ/mol | 400.0 | NIST |
| ΔvapH | 55.00 | kJ/mol | 403.0 | NIST |
| ΔvapH | 49.80 | kJ/mol | 410.0 | NIST |
| ΔvapH | 49.30 | kJ/mol | 418.0 | NIST |
| ΔvapH | 45.44 | kJ/mol | 431.7 | NIST |
| ΔfusS | 31.14 | J/mol×K | 263.5 | NIST |
| ΔfusS | 5.72 | J/mol×K | 297.0 | NIST |
Molecular Descriptors
| Joback and Reid Groups | |
|---|---|
| -OH (alcohol) | 1 |
| >CH- (ring) | 1 |
| -CH2- (ring) | 5 |
Similar Compounds
Find more compounds similar to Cyclohexanol.
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