- InChI
- InChI=1S/C11H24O/c1-3-4-5-6-7-8-9-10-11(2)12/h11-12H,3-10H2,1-2H3
- InChI Key
- XMUJIPOFTAHSOK-UHFFFAOYSA-N
- Formula
- C11H24O
- SMILES
- CCCCCCCCCC(C)O
- Molecular Weight1
- 172.31
- CAS
- 1653-30-1
- Other Names
-
- 2-Hydroxyundecane
- Methyl nonyl carbinol
- Undecan-2-ol
- Undecylic alcohol, sec-
- sec-Undecyl Alcohol
- 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (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.
- Ip : 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 | 0.7529 | Relay (1.0) Calculated Property | |
| ΔfG° | -97.52 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -456.15 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 24.81 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 83.24 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.80 | eV | Relay (1.0) Calculated Property |
| log10WS | [-2.94; -2.94] |
|
|
| log10WS | -2.94 | Aq. Solubility Prediction | |
| log10WS | -2.94 | Estimated Solubility | |
| logPoct/wat | 3.508 | Crippen Calculated Property | |
| McVol | 171.720 | ml/mol | McGowan Calculated Property |
| Pc | 2115.83 | kPa | Joback Calculated Property |
| Inp | [1270.00; 1311.00] |
|
|
| Inp | 1287.00 | NIST | |
| Inp | 1287.00 | NIST | |
| Inp | 1294.00 | NIST | |
| Inp | 1304.00 | NIST | |
| Inp | 1310.00 | NIST | |
| Inp | 1303.00 | NIST | |
| Inp | 1288.00 | NIST | |
| Inp | 1311.00 | NIST | |
| Inp | 1298.00 | NIST | |
| Inp | Outlier 1270.00 | NIST | |
| Inp | 1285.00 | NIST | |
| Inp | 1309.00 | NIST | |
| Inp | 1311.00 | NIST | |
| Inp | 1307.00 | NIST | |
| Inp | 1294.00 | NIST | |
| Inp | 1286.00 | NIST | |
| Inp | 1287.00 | NIST | |
| Inp | 1285.00 | NIST | |
| Inp | 1286.00 | NIST | |
| Inp | 1288.00 | NIST | |
| Ip | [1704.00; 1738.00] |
|
|
| Ip | 1706.00 | NIST | |
| Ip | 1706.00 | NIST | |
| Ip | 1706.00 | NIST | |
| Ip | 1723.00 | NIST | |
| Ip | 1723.00 | NIST | |
| Ip | 1726.00 | NIST | |
| Ip | 1712.00 | NIST | |
| Ip | 1717.00 | NIST | |
| Ip | 1723.00 | NIST | |
| Ip | 1724.00 | NIST | |
| Ip | 1710.00 | NIST | |
| Ip | 1723.00 | NIST | |
| Ip | 1717.00 | NIST | |
| Ip | Outlier 1738.00 | NIST | |
| Ip | 1705.00 | NIST | |
| Ip | 1717.00 | NIST | |
| Ip | 1712.00 | NIST | |
| Ip | 1716.00 | NIST | |
| Ip | 1704.00 | NIST | |
| Ip | 1712.00 | NIST | |
| Ip | 1718.00 | NIST | |
| Ip | 1726.00 | NIST | |
| Ip | 1722.00 | NIST | |
| Ip | 1722.00 | NIST | |
| Ip | 1722.00 | NIST | |
| Ip | 1710.00 | NIST | |
| Ip | 1717.00 | NIST | |
| Ip | 1726.00 | NIST | |
| Ip | 1723.00 | NIST | |
| Ip | 1712.00 | NIST | |
| Tboil | [501.15; 507.15] | K |
|
| Tboil | 505.15 ± 5.00 | K | NIST |
| Tboil | 501.15 ± 5.00 | K | NIST |
| Tboil | 503.15 ± 5.00 | K | NIST |
| Tboil | 501.15 ± 5.00 | K | NIST |
| Tboil | 507.15 ± 5.00 | K | NIST |
| Tboil | 501.15 ± 3.00 | K | NIST |
| Tboil | 503.65 ± 4.00 | K | NIST |
| Tboil | 505.15 ± 4.00 | K | NIST |
| Tboil | 501.65 ± 4.00 | K | NIST |
| Tc | 679.03 | K | Relay (1.0) Calculated Property |
| Tfus | 274.15 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Vc | 0.677 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | 61.40 | kJ/mol | 424.50 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [251.02; 606.04] | 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 | -3.50200e+00 | |||
| Coefficient B | 1.08874e+00 | |||
| Coefficient C | -6.08200e-04 | |||
| Coefficient D | 1.29000e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 251.02 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 311.26 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 365.35 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 413.70 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 456.71 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 494.80 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 528.37 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 557.82 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 583.58 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 606.04 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0264673; 0.0001747] | Pa×s | [274.15; 492.63] |
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 | -1.49527e+01 | |||
| Coefficient B | 3.10361e+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. | 274.15 | |||
| Temperature range, max. | 492.63 | |||
| η | 0.0264673 | Pa×s | 274.15 | Calculated Property |
| η | 0.0105384 | Pa×s | 298.43 | Calculated Property |
| η | 0.0048196 | Pa×s | 322.70 | Calculated Property |
| η | 0.0024592 | Pa×s | 346.98 | Calculated Property |
| η | 0.0013702 | Pa×s | 371.25 | Calculated Property |
| η | 0.0008203 | Pa×s | 395.53 | Calculated Property |
| η | 0.0005211 | Pa×s | 419.80 | Calculated Property |
| η | 0.0003478 | Pa×s | 444.08 | Calculated Property |
| η | 0.0002421 | Pa×s | 468.35 | Calculated Property |
| η | 0.0001747 | Pa×s | 492.63 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.66] | kPa | [391.92; 528.62] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.67068e+01 | |||
| Coefficient B | -5.09095e+03 | |||
| Coefficient C | -8.18600e+01 | |||
| Temperature range, min. | 391.92 | |||
| Temperature range, max. | 528.62 | |||
| Pvap | 1.33 | kPa | 391.92 | Calculated Property |
| Pvap | 2.87 | kPa | 407.11 | Calculated Property |
| Pvap | 5.77 | kPa | 422.30 | Calculated Property |
| Pvap | 10.93 | kPa | 437.49 | Calculated Property |
| Pvap | 19.64 | kPa | 452.68 | Calculated Property |
| Pvap | 33.72 | kPa | 467.86 | Calculated Property |
| Pvap | 55.55 | kPa | 483.05 | Calculated Property |
| Pvap | 88.25 | kPa | 498.24 | Calculated Property |
| Pvap | 135.71 | kPa | 513.43 | Calculated Property |
| Pvap | 202.66 | kPa | 528.62 | Calculated Property |
| Pvap | [0.13; 100.30] | kPa | [344.30; 505.00] |
NIST
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.71789e+01 | |||
| Coefficient B | -5.85603e+03 | |||
| Coefficient C | -3.91520e+01 | |||
| Reference | Stull, 1947 | |||
| Comment | Coefficents calculated by NIST from author's data. | |||
| Temperature range, min. | 344.30 | |||
| Temperature range, max. | 505.00 | |||
| Pvap | 0.13 | kPa | 344.30 | Calculated Property |
| Pvap | 0.39 | kPa | 362.16 | Calculated Property |
| Pvap | 1.00 | kPa | 380.01 | Calculated Property |
| Pvap | 2.35 | kPa | 397.87 | Calculated Property |
| Pvap | 5.09 | kPa | 415.72 | Calculated Property |
| Pvap | 10.30 | kPa | 433.58 | Calculated Property |
| Pvap | 19.59 | kPa | 451.43 | Calculated Property |
| Pvap | 35.32 | kPa | 469.29 | Calculated Property |
| Pvap | 60.77 | kPa | 487.14 | Calculated Property |
| Pvap | 100.30 | kPa | 505.00 | Calculated Property |
Similar Compounds
Find more compounds similar to 2-Undecanol.
Sources
- Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
- Cheméo Relay (1.0)
- Crippen Method
- Joback Method
- Aqueous Solubility Prediction Method
- Estimated Solubility Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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