- InChI
- InChI=1S/C22H46/c1-4-7-10-12-13-14-15-16-18-21-22(19-9-6-3)20-17-11-8-5-2/h22H,4-21H2,1-3H3
- InChI Key
- BKVAQMVJSZZWEP-UHFFFAOYSA-N
- Formula
- C22H46
- SMILES
- CCCCCCCCCCCC(CCCC)CCCCCC
- Molecular Weight1
- 310.60
- Other Names
-
- Hexadecane, 5-hexyl
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | 131.92 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -502.69 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 49.21 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.18 | kJ/mol | Joback Calculated Property |
| log10WS | -8.79 | Crippen 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 | [2069.00; 2080.00] |
|
|
| Inp | 2069.00 | NIST | |
| Inp | 2080.00 | NIST | |
| Inp | 2069.00 | NIST | |
| Inp | 2080.00 | NIST | |
| Tboil | 702.32 | K | Joback Calculated Property |
| Tc | 867.26 | K | Joback Calculated Property |
| Tfus | 322.70 | K | Joback Calculated Property |
| Vc | 1.262 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [962.39; 1080.72] | J/mol×K | [702.32; 867.26] |
|
| Cp,gas | 962.39 | J/mol×K | 702.32 | Joback Calculated Property |
| Cp,gas | 984.38 | J/mol×K | 729.81 | Joback Calculated Property |
| Cp,gas | 1005.42 | J/mol×K | 757.30 | Joback Calculated Property |
| Cp,gas | 1025.55 | J/mol×K | 784.79 | Joback Calculated Property |
| Cp,gas | 1044.78 | J/mol×K | 812.28 | Joback Calculated Property |
| Cp,gas | 1063.16 | J/mol×K | 839.77 | Joback Calculated Property |
| Cp,gas | 1080.72 | J/mol×K | 867.26 | Joback Calculated Property |
| η | [0.0000698; 0.0040182] | Pa×s | [322.70; 702.32] |
|
| η | 0.0040182 | Pa×s | 322.70 | Joback Calculated Property |
| η | 0.0011754 | Pa×s | 385.97 | Joback Calculated Property |
| η | 0.0004861 | Pa×s | 449.24 | Joback Calculated Property |
| η | 0.0002500 | Pa×s | 512.51 | Joback Calculated Property |
| η | 0.0001488 | Pa×s | 575.78 | Joback Calculated Property |
| η | 0.0000982 | Pa×s | 639.05 | Joback Calculated Property |
| η | 0.0000698 | Pa×s | 702.32 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Octadecane, 7-butyl.
Sources
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