- InChI
- InChI=1S/C22H46/c1-4-6-8-10-11-12-13-14-15-16-17-19-21-22(3)20-18-9-7-5-2/h22H,4-21H2,1-3H3
- InChI Key
- NCYRGSHVAHIZDJ-UHFFFAOYSA-N
- Formula
- C22H46
- SMILES
- CCCCCCCCCCCCCCC(C)CCCCCC
- Molecular Weight1
- 310.60
- Other Names
-
- Hexadecane, 2-hexyl
- 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).
- Inp : Non-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 | 0.8855 | Relay (1.0) Calculated Property | |
| ΔfG° | 131.92 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -507.60 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 49.21 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 108.49 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.78 | eV | Relay (1.0) Calculated Property |
| log10WS | -9.12 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.684 | Crippen Calculated Property | |
| McVol | 320.840 | ml/mol | McGowan Calculated Property |
| Pc | 906.15 | kPa | Joback Calculated Property |
| Inp | [2143.00; 2145.00] |
|
|
| Inp | 2143.00 | NIST | |
| Inp | 2144.00 | NIST | |
| Inp | 2145.00 | NIST | |
| Tboil | 588.73 | K | Relay (1.0) Calculated Property |
| Tc | 762.02 | K | Relay (1.0) Calculated Property |
| Tfus | 275.53 | K | Relay (1.0) Calculated Property |
| Vc | 1.267 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [962.55; 1080.87] | J/mol×K | [702.52; 867.50] |
|
| Cp,gas | 962.55 | J/mol×K | 702.52 | Joback Calculated Property |
| Cp,gas | 984.54 | J/mol×K | 730.02 | Joback Calculated Property |
| Cp,gas | 1005.58 | J/mol×K | 757.51 | Joback Calculated Property |
| Cp,gas | 1025.71 | J/mol×K | 785.01 | Joback Calculated Property |
| Cp,gas | 1044.94 | J/mol×K | 812.51 | Joback Calculated Property |
| Cp,gas | 1063.32 | J/mol×K | 840.01 | Joback Calculated Property |
| Cp,gas | 1080.87 | J/mol×K | 867.50 | Joback Calculated Property |
| η | [0.0000697; 0.0040182] | Pa×s | [322.70; 702.52] |
|
| η | 0.0040182 | Pa×s | 322.70 | Joback Calculated Property |
| η | 0.0011748 | Pa×s | 386.00 | Joback Calculated Property |
| η | 0.0004857 | Pa×s | 449.31 | Joback Calculated Property |
| η | 0.0002498 | Pa×s | 512.61 | Joback Calculated Property |
| η | 0.0001487 | Pa×s | 575.91 | Joback Calculated Property |
| η | 0.0000981 | Pa×s | 639.22 | Joback Calculated Property |
| η | 0.0000697 | Pa×s | 702.52 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Heneicosane, 7-methyl.
Sources
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