- InChI
- InChI=1S/C7H14O/c1-7(8)5-3-2-4-6-7/h8H,2-6H2,1H3
- InChI Key
- VTBOTOBFGSVRMA-UHFFFAOYSA-N
- Formula
- C7H14O
- SMILES
- CC1(O)CCCCC1
- Molecular Weight1
- 114.19
- CAS
- 590-67-0
- Other Names
-
- 1-METHYL-1-CYCLOHEXANOL
- 1-Methylcyclohexanol
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Cp,liquid : Liquid phase heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfH°solid : Solid 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).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- NFPA Fire : NFPA Fire Rating.
- Pc : Critical Pressure (kPa).
- Pvap : Vapor pressure (kPa).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Ttriple : Triple Point Temperature (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry.
Do not hesitate to contact us for your projects.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfG° | -109.80 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -270.48 | kJ/mol | Joback Calculated Property |
| ΔfH°solid | -391.90 ± 0.80 | kJ/mol | NIST |
| ΔfusH° | 3.51 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 47.13 | kJ/mol | Joback Calculated Property |
| IE | 9.80 ± 0.20 | eV | NIST |
| log10WS | -2.02 | Crippen Calculated Property | |
| logPoct/wat | 1.701 | Crippen Calculated Property | |
| McVol | 104.500 | ml/mol | McGowan Calculated Property |
| NFPA Fire | 2 | KDB | |
| Pc | 4173.09 | kPa | Joback Calculated Property |
| Inp | [868.00; 918.00] |
|
|
| Inp | 918.00 | NIST | |
| Inp | 882.00 | NIST | |
| Inp | 868.00 | NIST | |
| Inp | 868.00 | NIST | |
| Inp | 918.00 | NIST | |
| Tboil | [427.15; 438.65] | K |
|
| Tboil | 428.20 | K | NIST |
| Tboil | 438.65 ± 1.50 | K | NIST |
| Tboil | 427.15 ± 2.00 | K | NIST |
| Tc | 672.52 | K | Joback Calculated Property |
| Tfus | [297.90; 299.10] | K |
|
| Tfus | 299.10 ± 2.00 | K | NIST |
| Tfus | 297.90 ± 1.50 | K | NIST |
| Ttriple | 299.40 ± 0.15 | K | NIST |
| Vc | 0.378 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [231.11; 303.04] | J/mol×K | [471.53; 672.52] |
|
| Cp,gas | 231.11 | J/mol×K | 471.53 | Joback Calculated Property |
| Cp,gas | 245.11 | J/mol×K | 505.03 | Joback Calculated Property |
| Cp,gas | 258.19 | J/mol×K | 538.53 | Joback Calculated Property |
| Cp,gas | 270.43 | J/mol×K | 572.03 | Joback Calculated Property |
| Cp,gas | 281.93 | J/mol×K | 605.52 | Joback Calculated Property |
| Cp,gas | 292.77 | J/mol×K | 639.02 | Joback Calculated Property |
| Cp,gas | 303.04 | J/mol×K | 672.52 | Joback Calculated Property |
| Cp,liquid | 279.05 | J/mol×K | 298.15 | NIST |
| ΔfusH | [10.87; 14.32] | kJ/mol | [299.20; 299.40] |
|
| ΔfusH | 10.87 | kJ/mol | 299.20 | NIST |
| ΔfusH | 10.87 | kJ/mol | 299.20 | NIST |
| ΔfusH | 14.32 | kJ/mol | 299.40 | NIST |
| ΔsubH | 75.90 ± 0.40 | kJ/mol | 291.00 | NIST |
| ΔvapH | 49.10 | kJ/mol | 385.00 | NIST |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 441.20 | K | 100.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [0.20; 202.63] | kPa | [299.15; 451.79] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.61238e+01 | |||
| Coefficient B | -4.23413e+03 | |||
| Coefficient C | -6.01900e+01 | |||
| Temperature range, min. | 299.15 | |||
| Temperature range, max. | 451.79 | |||
| Pvap | 0.20 | kPa | 299.15 | Calculated Property |
| Pvap | 0.66 | kPa | 316.11 | Calculated Property |
| Pvap | 1.84 | kPa | 333.07 | Calculated Property |
| Pvap | 4.55 | kPa | 350.03 | Calculated Property |
| Pvap | 10.20 | kPa | 366.99 | Calculated Property |
| Pvap | 21.03 | kPa | 383.95 | Calculated Property |
| Pvap | 40.32 | kPa | 400.91 | Calculated Property |
| Pvap | 72.68 | kPa | 417.87 | Calculated Property |
| Pvap | 124.20 | kPa | 434.83 | Calculated Property |
| Pvap | 202.63 | kPa | 451.79 | Calculated Property |
| Pvap | [0.15; 3767.66] | kPa | [299.15; 603.00] |
KDB Vap...
|
| Equation | ln(Pvp) = A + B/T + C*ln(T) + D*T^2 | |||
| Coefficient A | 1.45806e+02 | |||
| Coefficient B | -1.21502e+04 | |||
| Coefficient C | -1.89544e+01 | |||
| Coefficient D | 1.07872e-05 | |||
| Temperature range, min. | 299.15 | |||
| Temperature range, max. | 603.00 | |||
| Pvap | 0.15 | kPa | 299.15 | Calculated Property |
| Pvap | 1.52 | kPa | 332.91 | Calculated Property |
| Pvap | 9.06 | kPa | 366.67 | Calculated Property |
| Pvap | 36.89 | kPa | 400.43 | Calculated Property |
| Pvap | 114.08 | kPa | 434.19 | Calculated Property |
| Pvap | 288.59 | kPa | 467.96 | Calculated Property |
| Pvap | 629.49 | kPa | 501.72 | Calculated Property |
| Pvap | 1230.45 | kPa | 535.48 | Calculated Property |
| Pvap | 2217.93 | kPa | 569.24 | Calculated Property |
| Pvap | 3767.66 | kPa | 603.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Cyclohexanol, 1-methyl-.
Sources
- KDB Vapor Pressure Data
- Crippen Method
- Crippen Method
- Joback Method
- KDB
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.