- InChI
- InChI=1S/C14H30O/c1-3-5-6-7-8-9-10-11-12-14(4-2)13-15/h14-15H,3-13H2,1-2H3
- InChI Key
- SBAZXXVUILTVKK-UHFFFAOYSA-N
- Formula
- C14H30O
- SMILES
- CCCCCCCCCCC(CC)CO
- Molecular Weight1
- 214.39
- 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 | 0.8427 | Relay (1.0) Calculated Property | |
| ΔfG° | -72.26 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -485.45 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 32.58 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 96.85 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.73 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.41 | Relay (1.0) 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 | [2090.00; 2090.00] |
|
|
| I | 2090.00 | NIST | |
| I | 2090.00 | NIST | |
| Tboil | 559.73 | K | Relay (1.0) Calculated Property |
| Tc | 738.03 | K | Relay (1.0) Calculated Property |
| Tfus | 263.72 | K | Relay (1.0) Calculated Property |
| Vc | 0.797 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [314.66; 760.81] | 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 | -6.22900e+00 | |||
| Coefficient B | 1.37374e+00 | |||
| Coefficient C | -7.71400e-04 | |||
| Coefficient D | 1.64700e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 314.66 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 390.51 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 458.58 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 519.39 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 573.44 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 621.28 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 663.41 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 700.37 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 732.66 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 760.81 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0226239; 0.0001158] | Pa×s | [293.36; 540.27] |
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 | -1.53312e+01 | |||
| Coefficient B | 3.38609e+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. | 293.36 | |||
| Temperature range, max. | 540.27 | |||
| η | 0.0226239 | Pa×s | 293.36 | Calculated Property |
| η | 0.0084309 | Pa×s | 320.79 | Calculated Property |
| η | 0.0036705 | Pa×s | 348.23 | Calculated Property |
| η | 0.0018044 | Pa×s | 375.66 | Calculated Property |
| η | 0.0009770 | Pa×s | 403.10 | Calculated Property |
| η | 0.0005721 | Pa×s | 430.53 | Calculated Property |
| η | 0.0003571 | Pa×s | 457.96 | Calculated Property |
| η | 0.0002351 | Pa×s | 485.40 | Calculated Property |
| η | 0.0001619 | Pa×s | 512.83 | Calculated Property |
| η | 0.0001158 | Pa×s | 540.27 | Calculated Property |
Similar Compounds
Find more compounds similar to 2-Ethyl-1-dodecanol.
Sources
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