- InChI
- InChI=1S/C8H16O/c9-7-8-5-3-1-2-4-6-8/h8-9H,1-7H2
- InChI Key
- BMCQFFXPECPDPS-UHFFFAOYSA-N
- Formula
- C8H16O
- SMILES
- OCC1CCCCCC1
- Molecular Weight1
- 128.21
- 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).
- 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).
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (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 | 0.5345 | Relay (1.0) Calculated Property | |
| ΔfG° | -107.99 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -304.89 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 10.30 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 69.28 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.61 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.82 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.949 | Crippen Calculated Property | |
| McVol | 118.590 | ml/mol | McGowan Calculated Property |
| Pc | 3611.55 | kPa | Joback Calculated Property |
| Tboil | 478.91 | K | Relay (1.0) Calculated Property |
| Tc | 716.28 | K | Relay (1.0) Calculated Property |
| Tfus | 296.42 | K | Relay (1.0) Calculated Property |
| Vc | 0.395 | m3/kmol | Relay (1.0) Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 486.20 | K | 95.20 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [144.68; 437.58] | 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 | -6.98190e+01 | |||
| Coefficient B | 9.10300e-01 | |||
| Coefficient C | -4.76400e-04 | |||
| Coefficient D | 7.35000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 144.68 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 195.85 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 241.83 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 282.83 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 319.10 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 350.87 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 378.37 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 401.84 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 421.49 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 437.58 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0923760; 0.0001603] | Pa×s | [244.60; 487.41] |
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 | -1.51413e+01 | |||
| Coefficient B | 3.12095e+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. | 244.60 | |||
| Temperature range, max. | 487.41 | |||
| η | 0.0923760 | Pa×s | 244.60 | Calculated Property |
| η | 0.0260061 | Pa×s | 271.58 | Calculated Property |
| η | 0.0092062 | Pa×s | 298.56 | Calculated Property |
| η | 0.0038711 | Pa×s | 325.54 | Calculated Property |
| η | 0.0018586 | Pa×s | 352.52 | Calculated Property |
| η | 0.0009905 | Pa×s | 379.49 | Calculated Property |
| η | 0.0005738 | Pa×s | 406.47 | Calculated Property |
| η | 0.0003558 | Pa×s | 433.45 | Calculated Property |
| η | 0.0002333 | Pa×s | 460.43 | Calculated Property |
| η | 0.0001603 | Pa×s | 487.41 | Calculated Property |
Similar Compounds
Find more compounds similar to CYCLOHEPTANEMETHANOL.
Sources
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