- InChI
- InChI=1S/C22H44/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-22-20-17-15-18-21-22/h22H,2-21H2,1H3
- InChI Key
- NRHBFNBZAZZTAU-UHFFFAOYSA-N
- Formula
- C22H44
- SMILES
- CCCCCCCCCCCCCCCCC1CCCCC1
- Molecular Weight1
- 308.58
- CAS
- 6812-38-0
- Other Names
-
- n-Hexadecyl-cyclohexane
- ω : Acentric Factor.
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- 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).
- 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).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- 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 | 0.8189 | Relay (1.0) Calculated Property | |
| ΔcH°liquid | -14485.30 ± 3.50 | kJ/mol | NIST |
| ΔfG° | 158.81 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -460.50 ± 3.70 | kJ/mol | NIST |
| ΔfusH° | 44.57 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 109.30 | kJ/mol | NIST |
| IE | 9.94 | eV | Relay (1.0) Calculated Property |
| log10WS | -8.95 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.438 | Crippen Calculated Property | |
| McVol | 309.980 | ml/mol | McGowan Calculated Property |
| Pc | 1024.00 | kPa | Joback Calculated Property |
| Inp | [2272.00; 2285.70] |
|
|
| Inp | 2272.00 | NIST | |
| Inp | 2285.70 | NIST | |
| Inp | 2280.10 | NIST | |
| Inp | 2279.00 | NIST | |
| Inp | 2272.00 | NIST | |
| Inp | 2279.00 | NIST | |
| I | [2304.20; 2304.20] |
|
|
| I | 2304.20 | NIST | |
| I | 2304.20 | NIST | |
| Tboil | 622.68 | K | Relay (1.0) Calculated Property |
| Tc | 802.97 | K | Relay (1.0) Calculated Property |
| Tfus | [304.15; 308.80] | K |
|
| Tfus | 306.90 ± 2.00 | K | NIST |
| Tfus | 308.80 ± 1.00 | K | NIST |
| Tfus | 305.20 ± 2.00 | K | NIST |
| Tfus | 304.15 ± 2.00 | K | NIST |
| Tfus | 305.70 ± 1.00 | K | NIST |
| Vc | 1.192 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | 79.60 | kJ/mol | 598.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [434.07; 1139.41] | 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 | -8.27150e+01 | |||
| Coefficient B | 2.21592e+00 | |||
| Coefficient C | -1.25400e-03 | |||
| Coefficient D | 2.60200e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 434.07 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 555.80 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 664.77 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 761.81 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 847.73 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 923.36 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 989.52 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1047.03 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1096.72 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1139.40 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0088557; 0.0001310] | Pa×s | [306.15; 630.82] |
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 | -1.29130e+01 | |||
| Coefficient B | 2.50623e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 306.15 | |||
| Temperature range, max. | 630.82 | |||
| η | 0.0088557 | Pa×s | 306.15 | Calculated Property |
| η | 0.0037365 | Pa×s | 342.22 | Calculated Property |
| η | 0.0018586 | Pa×s | 378.30 | Calculated Property |
| η | 0.0010440 | Pa×s | 414.37 | Calculated Property |
| η | 0.0006432 | Pa×s | 450.45 | Calculated Property |
| η | 0.0004258 | Pa×s | 486.52 | Calculated Property |
| η | 0.0002984 | Pa×s | 522.59 | Calculated Property |
| η | 0.0002189 | Pa×s | 558.67 | Calculated Property |
| η | 0.0001668 | Pa×s | 594.74 | Calculated Property |
| η | 0.0001310 | Pa×s | 630.82 | Calculated Property |
Similar Compounds
Find more compounds similar to Cyclohexane, hexadecyl-.
Sources
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