- InChI
- InChI=1S/C12H26O/c1-4-5-6-7-8-9-10-12(2,3)11-13/h13H,4-11H2,1-3H3
- InChI Key
- OSJLCOMCKUOKDD-UHFFFAOYSA-N
- Formula
- C12H26O
- SMILES
- CCCCCCCCC(C)(C)CO
- Molecular Weight1
- 186.34
- Other Names
-
- 1-Hydroxy-2,2-dimethyldecane
- 2,2-Dimethyl-1-decanol
- 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 | 0.7608 | Relay (1.0) Calculated Property | |
| ΔfG° | -83.82 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -459.08 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 23.51 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 83.39 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.59 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.64 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.756 | Crippen Calculated Property | |
| McVol | 185.810 | ml/mol | McGowan Calculated Property |
| Pc | 1959.60 | kPa | Joback Calculated Property |
| I | [1911.00; 1911.00] |
|
|
| I | 1911.00 | NIST | |
| I | 1911.00 | NIST | |
| Tboil | 517.15 ± 4.00 | K | NIST |
| Tc | 705.77 | K | Relay (1.0) Calculated Property |
| Tfus | 288.59 | K | Relay (1.0) Calculated Property |
| Vc | 0.691 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [271.09; 658.56] | 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 | -2.72020e+01 | |||
| Coefficient B | 1.30366e+00 | |||
| Coefficient C | -8.31200e-04 | |||
| Coefficient D | 2.13300e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 271.09 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 339.42 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 399.85 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 453.07 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 499.74 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 540.54 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 576.15 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 607.24 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 634.49 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 658.56 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0253239; 0.0001506] | Pa×s | [288.24; 509.63] |
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 | -1.54734e+01 | |||
| Coefficient B | 3.40049e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 288.24 | |||
| Temperature range, max. | 509.63 | |||
| η | 0.0253239 | Pa×s | 288.24 | Calculated Property |
| η | 0.0100152 | Pa×s | 312.84 | Calculated Property |
| η | 0.0045345 | Pa×s | 337.44 | Calculated Property |
| η | 0.0022865 | Pa×s | 362.04 | Calculated Property |
| η | 0.0012579 | Pa×s | 386.64 | Calculated Property |
| η | 0.0007433 | Pa×s | 411.23 | Calculated Property |
| η | 0.0004661 | Pa×s | 435.83 | Calculated Property |
| η | 0.0003072 | Pa×s | 460.43 | Calculated Property |
| η | 0.0002112 | Pa×s | 485.03 | Calculated Property |
| η | 0.0001506 | Pa×s | 509.63 | Calculated Property |
Similar Compounds
Find more compounds similar to 1-Decanol, 2,2-dimethyl-.
Sources
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