- InChI
- InChI=1S/C12H26O/c1-3-4-5-6-7-8-9-12(2)10-11-13/h12-13H,3-11H2,1-2H3
- InChI Key
- CTVPPKBJEDDIHQ-UHFFFAOYSA-N
- Formula
- C12H26O
- SMILES
- CCCCCCCCC(C)CCO
- Molecular Weight1
- 186.33
- CAS
- ---
- 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.
- 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 | 0.7873 | Relay (1.0) Calculated Property | |
| ΔfG° | -89.10 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -465.67 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 27.40 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 84.93 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.69 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.58 | 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 | 1336.00 | NIST | |
| Tboil | 529.91 | K | Relay (1.0) Calculated Property |
| Tc | 711.13 | K | Relay (1.0) Calculated Property |
| Tfus | 257.86 | K | Relay (1.0) Calculated Property |
| Vc | 0.686 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [478.70; 559.62] | J/mol×K | [565.70; 725.92] | 
|
| Cp,gas | 478.70 | J/mol×K | 565.70 | Joback Calculated Property |
| Cp,gas | 493.60 | J/mol×K | 592.40 | Joback Calculated Property |
| Cp,gas | 507.92 | J/mol×K | 619.11 | Joback Calculated Property |
| Cp,gas | 521.66 | J/mol×K | 645.81 | Joback Calculated Property |
| Cp,gas | 534.85 | J/mol×K | 672.51 | Joback Calculated Property |
| Cp,gas | 547.50 | J/mol×K | 699.22 | Joback Calculated Property |
| Cp,gas | 559.62 | J/mol×K | 725.92 | Joback Calculated Property |
| η | [0.0000810; 0.0381702] | Pa×s | [270.82; 565.70] |
|
| η | 0.0381702 | Pa×s | 270.82 | Joback Calculated Property |
| η | 0.0062239 | Pa×s | 319.97 | Joback Calculated Property |
| η | 0.0016449 | Pa×s | 369.11 | Joback Calculated Property |
| η | 0.0005944 | Pa×s | 418.26 | Joback Calculated Property |
| η | 0.0002660 | Pa×s | 467.41 | Joback Calculated Property |
| η | 0.0001387 | Pa×s | 516.55 | Joback Calculated Property |
| η | 0.0000810 | Pa×s | 565.70 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.65] | kPa | [401.92; 552.86] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.58487e+01 | |||
| Coefficient B | -4.92640e+03 | |||
| Coefficient C | -8.53350e+01 | |||
| Temperature range, min. | 401.92 | |||
| Temperature range, max. | 552.86 | |||
| Pvap | 1.33 | kPa | 401.92 | Calculated Property |
| Pvap | 2.92 | kPa | 418.69 | Calculated Property |
| Pvap | 5.92 | kPa | 435.46 | Calculated Property |
| Pvap | 11.26 | kPa | 452.23 | Calculated Property |
| Pvap | 20.26 | kPa | 469.00 | Calculated Property |
| Pvap | 34.68 | kPa | 485.78 | Calculated Property |
| Pvap | 56.87 | kPa | 502.55 | Calculated Property |
| Pvap | 89.75 | kPa | 519.32 | Calculated Property |
| Pvap | 136.92 | kPa | 536.09 | Calculated Property |
| Pvap | 202.65 | kPa | 552.86 | Calculated Property |
Similar Compounds
Find more compounds similar to 3-Methylundecanol.
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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