- InChI
- InChI=1S/C12H26O/c1-4-5-6-7-8-12(13)10-9-11(2)3/h11-13H,4-10H2,1-3H3
- InChI Key
- IHRNKXOJQXUPBE-UHFFFAOYSA-N
- Formula
- C12H26O
- SMILES
- CCCCCCC(O)CCC(C)C
- Molecular Weight1
- 186.34
- CAS
- 33978-71-1
- Other Names
-
- 2-Methyl-5-undecanol
- 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).
- Pvap : Vapor 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 | 0.7283 | Relay (1.0) Calculated Property | |
| ΔfG° | -91.54 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -475.81 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 23.88 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 82.43 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.75 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.96 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.754 | Crippen Calculated Property | |
| McVol | 185.810 | ml/mol | McGowan Calculated Property |
| Pc | 1954.41 | kPa | Joback Calculated Property |
| Tboil | 507.04 | K | Relay (1.0) Calculated Property |
| Tc | 682.54 | K | Relay (1.0) Calculated Property |
| Tfus | 271.20 | K | Relay (1.0) Calculated Property |
| Vc | 0.712 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [271.92; 658.17] | 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 | -6.09300e+00 | |||
| Coefficient B | 1.18966e+00 | |||
| Coefficient C | -6.65800e-04 | |||
| Coefficient D | 1.40400e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 271.92 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 337.67 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 396.67 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 449.38 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 496.23 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 537.66 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 574.13 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 606.07 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 633.94 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 658.17 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0773422; 0.0001418] | Pa×s | [255.82; 509.81] |
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 | -1.52074e+01 | |||
| Coefficient B | 3.23559e+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. | 255.82 | |||
| Temperature range, max. | 509.81 | |||
| η | 0.0773422 | Pa×s | 255.82 | Calculated Property |
| η | 0.0220118 | Pa×s | 284.04 | Calculated Property |
| η | 0.0078622 | Pa×s | 312.26 | Calculated Property |
| η | 0.0033308 | Pa×s | 340.48 | Calculated Property |
| η | 0.0016094 | Pa×s | 368.71 | Calculated Property |
| η | 0.0008624 | Pa×s | 396.93 | Calculated Property |
| η | 0.0005020 | Pa×s | 425.15 | Calculated Property |
| η | 0.0003126 | Pa×s | 453.37 | Calculated Property |
| η | 0.0002057 | Pa×s | 481.59 | Calculated Property |
| η | 0.0001418 | Pa×s | 509.81 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [397.03; 554.54] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.53070e+01 | |||
| Coefficient B | -4.70696e+03 | |||
| Coefficient C | -8.36340e+01 | |||
| Temperature range, min. | 397.03 | |||
| Temperature range, max. | 554.54 | |||
| Pvap | 1.33 | kPa | 397.03 | Calculated Property |
| Pvap | 2.95 | kPa | 414.53 | Calculated Property |
| Pvap | 6.03 | kPa | 432.03 | Calculated Property |
| Pvap | 11.51 | kPa | 449.53 | Calculated Property |
| Pvap | 20.70 | kPa | 467.03 | Calculated Property |
| Pvap | 35.38 | kPa | 484.54 | Calculated Property |
| Pvap | 57.81 | kPa | 502.04 | Calculated Property |
| Pvap | 90.81 | kPa | 519.54 | Calculated Property |
| Pvap | 137.77 | kPa | 537.04 | Calculated Property |
| Pvap | 202.64 | kPa | 554.54 | Calculated Property |
Similar Compounds
Find more compounds similar to 5-Undecanol, 2-methyl-.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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