- 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
- 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).
- 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 |
|---|---|---|---|
| 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 |
| log10WS | -8.68 | Crippen 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 | |
| I | 2304.20 | NIST | |
| Tboil | 722.31 | K | Joback Calculated Property |
| Tc | 900.92 | K | Joback 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 | 1.200 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [961.67; 1086.10] | J/mol×K | [722.31; 900.92] |
|
| Cp,gas | 961.67 | J/mol×K | 722.31 | Joback Calculated Property |
| Cp,gas | 985.23 | J/mol×K | 752.08 | Joback Calculated Property |
| Cp,gas | 1007.60 | J/mol×K | 781.85 | Joback Calculated Property |
| Cp,gas | 1028.83 | J/mol×K | 811.61 | Joback Calculated Property |
| Cp,gas | 1048.97 | J/mol×K | 841.38 | Joback Calculated Property |
| Cp,gas | 1068.04 | J/mol×K | 871.15 | Joback Calculated Property |
| Cp,gas | 1086.10 | J/mol×K | 900.92 | Joback Calculated Property |
| η | [0.0000792; 0.0035167] | Pa×s | [345.08; 722.31] |
|
| η | 0.0035167 | Pa×s | 345.08 | Joback Calculated Property |
| η | 0.0011482 | Pa×s | 407.95 | Joback Calculated Property |
| η | 0.0005055 | Pa×s | 470.82 | Joback Calculated Property |
| η | 0.0002700 | Pa×s | 533.69 | Joback Calculated Property |
| η | 0.0001646 | Pa×s | 596.57 | Joback Calculated Property |
| η | 0.0001103 | Pa×s | 659.44 | Joback Calculated Property |
| η | 0.0000792 | Pa×s | 722.31 | Joback Calculated Property |
| ΔvapH | 79.60 | kJ/mol | 598.00 | NIST |
Similar Compounds
Find more compounds similar to Cyclohexane, hexadecyl-.
Sources
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