- InChI
- InChI=1S/C7H14O/c1-6-4-2-3-5-7(6)8/h6-8H,2-5H2,1H3/t6-,7-/m0/s1
- InChI Key
- NDVWOBYBJYUSMF-BQBZGAKWSA-N
- Formula
- C7H14O
- SMILES
- CC1CCCCC1O
- Molecular Weight1
- 114.19
- CAS
- 615-39-4
- 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 | 0.4657 | Relay (1.0) Calculated Property | |
| ΔfG° | -112.02 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -295.47 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 10.88 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 63.65 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.64 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.16 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.557 | Crippen Calculated Property | |
| McVol | 104.500 | ml/mol | McGowan Calculated Property |
| Pc | 3782.33 | kPa | Joback Calculated Property |
| Tboil | 439.20 | K | NIST |
| Tc | 650.27 | K | Relay (1.0) Calculated Property |
| Tfus | 253.36 | K | Relay (1.0) Calculated Property |
| Vc | 0.368 | m3/kmol | Relay (1.0) Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 351.20 | K | 2.70 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [130.63; 390.87] | 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 | -5.78500e+01 | |||
| Coefficient B | 7.98420e-01 | |||
| Coefficient C | -4.13000e-04 | |||
| Coefficient D | 6.33000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 130.63 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 175.73 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 216.31 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 252.59 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 284.75 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 313.00 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 337.53 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 358.56 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 376.27 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 390.87 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0550246; 0.0002314] | Pa×s | [232.61; 461.56] |
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 | -1.39302e+01 | |||
| Coefficient B | 2.56573e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 232.61 | |||
| Temperature range, max. | 461.56 | |||
| η | 0.0550246 | Pa×s | 232.61 | Calculated Property |
| η | 0.0185486 | Pa×s | 258.05 | Calculated Property |
| η | 0.0076001 | Pa×s | 283.49 | Calculated Property |
| η | 0.0036070 | Pa×s | 308.93 | Calculated Property |
| η | 0.0019174 | Pa×s | 334.37 | Calculated Property |
| η | 0.0011146 | Pa×s | 359.81 | Calculated Property |
| η | 0.0006960 | Pa×s | 385.25 | Calculated Property |
| η | 0.0004607 | Pa×s | 410.68 | Calculated Property |
| η | 0.0003200 | Pa×s | 436.12 | Calculated Property |
| η | 0.0002314 | Pa×s | 461.56 | Calculated Property |
Similar Compounds
Find more compounds similar to Cyclohexanol, 2-methyl-, trans-(.+/-.)-.
Sources
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