- InChI
- InChI=1S/C17H36O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-17(2)16-18/h17-18H,3-16H2,1-2H3
- InChI Key
- FCSBKDJGLIURSH-UHFFFAOYSA-N
- Formula
- C17H36O
- SMILES
- CCCCCCCCCCCCCCC(C)CO
- Molecular Weight1
- 256.47
- CAS
- 2490-48-4
- Other Names
-
- 2-Methylhexadecan-1-ol
- 2-methyl-1-hexadecanol
- Hexadecanol, 2-methyl
- 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).
- 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 | 0.9721 | Relay (1.0) Calculated Property | |
| ΔfG° | -47.00 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -556.85 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 40.35 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 111.99 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.81 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.62 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.706 | Crippen Calculated Property | |
| McVol | 256.260 | ml/mol | McGowan Calculated Property |
| Pc | 1322.31 | kPa | Joback Calculated Property |
| Tboil | 585.52 | K | Relay (1.0) Calculated Property |
| Tc | 766.86 | K | Relay (1.0) Calculated Property |
| Tfus | 294.37 | K | Relay (1.0) Calculated Property |
| Vc | 0.981 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [378.30; 915.58] | 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 | -8.95600e+00 | |||
| Coefficient B | 1.65874e+00 | |||
| Coefficient C | -9.34600e-04 | |||
| Coefficient D | 2.00400e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 378.30 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 469.77 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 551.82 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 625.07 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 690.18 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 747.76 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 798.46 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 842.91 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 881.74 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 915.58 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0107169; 0.0000725] | Pa×s | [327.17; 590.12] |
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 | -1.57490e+01 | |||
| Coefficient B | 3.66857e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 327.17 | |||
| Temperature range, max. | 590.12 | |||
| η | 0.0107169 | Pa×s | 327.17 | Calculated Property |
| η | 0.0042740 | Pa×s | 356.39 | Calculated Property |
| η | 0.0019593 | Pa×s | 385.60 | Calculated Property |
| η | 0.0010025 | Pa×s | 414.82 | Calculated Property |
| η | 0.0005602 | Pa×s | 444.04 | Calculated Property |
| η | 0.0003364 | Pa×s | 473.26 | Calculated Property |
| η | 0.0002143 | Pa×s | 502.47 | Calculated Property |
| η | 0.0001435 | Pa×s | 531.69 | Calculated Property |
| η | 0.0001002 | Pa×s | 560.91 | Calculated Property |
| η | 0.0000725 | Pa×s | 590.12 | Calculated Property |
Similar Compounds
Find more compounds similar to 1-Hexadecanol, 2-methyl-.
Sources
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