- InChI
- InChI=1S/C14H30O/c1-3-5-7-9-11-14(13-15)12-10-8-6-4-2/h14-15H,3-13H2,1-2H3
- InChI Key
- QNMCWJOEQBZQHB-UHFFFAOYSA-N
- Formula
- C14H30O
- SMILES
- CCCCCCC(CO)CCCCCC
- Molecular Weight1
- 214.39
- CAS
- 19780-79-1
- Other Names
-
- 1-Octanol, 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).
- 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 | 0.8375 | Relay (... Calculated Property | |
| ΔfG° | -72.26 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -480.17 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 32.58 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 89.95 | kJ/mol | Relay (... Calculated Property |
| IE | 9.67 | eV | Relay (... Calculated Property |
| log10WS | -5.40 | Relay (... Calculated Property | |
| logPoct/wat | 4.536 | Crippen Calculated Property | |
| McVol | 213.990 | ml/mol | McGowan Calculated Property |
| Pc | 1649.77 | kPa | Joback Calculated Property |
| I | [2069.00; 2162.00] |
|
|
| I | 2069.00 | NIST | |
| I | 2162.00 | NIST | |
| I | 2162.00 | NIST | |
| I | 2069.00 | NIST | |
| Tboil | 558.18 | K | Relay (... Calculated Property |
| Tc | 733.90 | K | Relay (... Calculated Property |
| Tfus | 262.28 | K | Relay (... Calculated Property |
| Vc | 0.788 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [583.00; 670.12] | J/mol×K | [611.46; 771.56] |
|
| Cp,gas | 583.00 | J/mol×K | 611.46 | Joback Calculated Property |
| Cp,gas | 599.08 | J/mol×K | 638.14 | Joback Calculated Property |
| Cp,gas | 614.51 | J/mol×K | 664.83 | Joback Calculated Property |
| Cp,gas | 629.31 | J/mol×K | 691.51 | Joback Calculated Property |
| Cp,gas | 643.50 | J/mol×K | 718.19 | Joback Calculated Property |
| Cp,gas | 657.10 | J/mol×K | 744.87 | Joback Calculated Property |
| Cp,gas | 670.12 | J/mol×K | 771.56 | Joback Calculated Property |
| η | [0.0000558; 0.0226239] | Pa×s | [293.36; 611.46] |
|
| η | 0.0226239 | Pa×s | 293.36 | Joback Calculated Property |
| η | 0.0038664 | Pa×s | 346.38 | Joback Calculated Property |
| η | 0.0010562 | Pa×s | 399.39 | Joback Calculated Property |
| η | 0.0003911 | Pa×s | 452.41 | Joback Calculated Property |
| η | 0.0001784 | Pa×s | 505.43 | Joback Calculated Property |
| η | 0.0000944 | Pa×s | 558.44 | Joback Calculated Property |
| η | 0.0000558 | Pa×s | 611.46 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Hexyl-1-octanol.
Sources
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