- InChI
- InChI=1S/C15H32O/c1-4-5-6-7-8-9-10-11-12-13-14-15(2,3)16/h16H,4-14H2,1-3H3
- InChI Key
- IBIINSQLHLWOMP-UHFFFAOYSA-N
- Formula
- C15H32O
- SMILES
- CCCCCCCCCCCCC(C)(C)O
- Molecular Weight1
- 228.42
- 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 | 0.8888 | Relay (1.0) Calculated Property | |
| ΔfG° | -58.56 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -548.44 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 31.28 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 96.09 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.83 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.57 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.068 | Crippen Calculated Property | |
| McVol | 228.080 | ml/mol | McGowan Calculated Property |
| Pc | 1541.49 | kPa | Joback Calculated Property |
| Inp | [1630.80; 1630.80] |
|
|
| Inp | 1630.80 | NIST | |
| Inp | 1630.80 | NIST | |
| Tboil | 554.64 | K | Relay (1.0) Calculated Property |
| Tc | 727.17 | K | Relay (1.0) Calculated Property |
| Tfus | 303.53 | K | Relay (1.0) Calculated Property |
| Vc | 0.893 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [334.73; 813.33] | 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 | -2.99290e+01 | |||
| Coefficient B | 1.58866e+00 | |||
| Coefficient C | -9.94400e-04 | |||
| Coefficient D | 2.49000e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 334.73 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 418.67 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 493.08 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 558.76 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 616.48 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 667.03 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 711.20 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 749.79 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 783.57 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 813.33 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0119050; 0.0000956] | Pa×s | [322.05; 557.06] |
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 | -1.58668e+01 | |||
| Coefficient B | 3.68297e+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. | 322.05 | |||
| Temperature range, max. | 557.06 | |||
| η | 0.0119050 | Pa×s | 322.05 | Calculated Property |
| η | 0.0050493 | Pa×s | 348.16 | Calculated Property |
| η | 0.0024139 | Pa×s | 374.27 | Calculated Property |
| η | 0.0012706 | Pa×s | 400.39 | Calculated Property |
| η | 0.0007235 | Pa×s | 426.50 | Calculated Property |
| η | 0.0004396 | Pa×s | 452.61 | Calculated Property |
| η | 0.0002820 | Pa×s | 478.72 | Calculated Property |
| η | 0.0001894 | Pa×s | 504.84 | Calculated Property |
| η | 0.0001323 | Pa×s | 530.95 | Calculated Property |
| η | 0.0000956 | Pa×s | 557.06 | Calculated Property |
Similar Compounds
Find more compounds similar to 2-Methyltetradecan-2-ol.
Sources
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