- InChI
- InChI=1S/C12H26O/c1-3-4-5-6-7-8-9-10-12(2)11-13/h12-13H,3-11H2,1-2H3
- InChI Key
- FGZXHVORLPLICA-UHFFFAOYSA-N
- Formula
- C12H26O
- SMILES
- CCCCCCCCCC(C)CO
- Molecular Weight1
- 186.33
- CAS
- 10522-26-6
- Other Names
-
- 1-Undecanol, 2-methyl-
- 2-methylundecanol
- 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).
- Inp : Non-polar retention indices.
- 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 | 0.7959 | Relay (1.0) Calculated Property | |
| ΔfG° | -89.10 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -452.21 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 27.40 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 87.66 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.69 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.65 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.756 | Crippen Calculated Property | |
| McVol | 185.810 | ml/mol | McGowan Calculated Property |
| Pc | 1940.65 | kPa | Joback Calculated Property |
| Inp | 1422.00 | NIST | |
| I | 1875.00 | NIST | |
| Tboil | 525.16 | K | Relay (1.0) Calculated Property |
| Tc | 709.94 | K | Relay (1.0) Calculated Property |
| Tfus | 258.88 | K | Relay (1.0) Calculated Property |
| Vc | 0.698 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [272.23; 657.63] | 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 | -4.41100e+00 | |||
| Coefficient B | 1.18374e+00 | |||
| Coefficient C | -6.62600e-04 | |||
| Coefficient D | 1.40900e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 272.23 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 337.68 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 396.43 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 448.93 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 495.62 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 536.96 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 573.38 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 605.34 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 633.27 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 657.63 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0381702; 0.0001534] | Pa×s | [270.82; 508.32] |
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 | -1.50734e+01 | |||
| Coefficient B | 3.19777e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 270.82 | |||
| Temperature range, max. | 508.32 | |||
| η | 0.0381702 | Pa×s | 270.82 | Calculated Property |
| η | 0.0133784 | Pa×s | 297.21 | Calculated Property |
| η | 0.0055635 | Pa×s | 323.60 | Calculated Property |
| η | 0.0026409 | Pa×s | 349.99 | Calculated Property |
| η | 0.0013917 | Pa×s | 376.38 | Calculated Property |
| η | 0.0007976 | Pa×s | 402.77 | Calculated Property |
| η | 0.0004895 | Pa×s | 429.16 | Calculated Property |
| η | 0.0003179 | Pa×s | 455.55 | Calculated Property |
| η | 0.0002164 | Pa×s | 481.93 | Calculated Property |
| η | 0.0001534 | Pa×s | 508.32 | 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 2-Methyl-1-undecanol.
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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