- InChI
- InChI=1S/C12H26/c1-4-6-8-9-11-12(3)10-7-5-2/h12H,4-11H2,1-3H3
- InChI Key
- QULNVKABFWNUCW-UHFFFAOYSA-N
- Formula
- C12H26
- SMILES
- CCCCCCC(C)CCCC
- Molecular Weight1
- 170.33
- CAS
- 1632-70-8
- Other Names
-
- 5-Methylundecane
- Methylundecane
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | 47.72 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -296.29 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 23.31 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 41.92 | kJ/mol | Joback Calculated Property |
| log10WS | -4.60 | Crippen Calculated Property | |
| logPoct/wat | 4.783 | Crippen Calculated Property | |
| McVol | 179.940 | ml/mol | McGowan Calculated Property |
| Pc | 1792.42 | kPa | Joback Calculated Property |
| Inp | [1151.00; 1193.00] |
|
|
| Inp | 1159.00 | NIST | |
| Inp | 1156.00 | NIST | |
| Inp | 1153.60 | NIST | |
| Inp | 1159.00 | NIST | |
| Inp | 1152.00 | NIST | |
| Inp | 1158.00 | NIST | |
| Inp | 1156.00 | NIST | |
| Inp | 1157.00 | NIST | |
| Inp | 1155.00 | NIST | |
| Inp | 1152.00 | NIST | |
| Inp | 1153.60 | NIST | |
| Inp | 1154.00 | NIST | |
| Inp | 1156.00 | NIST | |
| Inp | 1156.00 | NIST | |
| Inp | 1159.00 | NIST | |
| Inp | 1156.00 | NIST | |
| Inp | 1157.14 | NIST | |
| Inp | 1157.29 | NIST | |
| Inp | 1157.24 | NIST | |
| Inp | 1156.30 | NIST | |
| Inp | 1156.62 | NIST | |
| Inp | 1156.52 | NIST | |
| Inp | 1155.00 | NIST | |
| Inp | 1154.00 | NIST | |
| Inp | 1156.00 | NIST | |
| Inp | 1157.40 | NIST | |
| Inp | 1156.00 | NIST | |
| Inp | Outlier 1193.00 | NIST | |
| Inp | 1155.00 | NIST | |
| Inp | 1151.00 | NIST | |
| I | 1157.00 | NIST | |
| Tboil | 473.52 | K | Joback Calculated Property |
| Tc | 637.74 | K | Joback Calculated Property |
| Tfus | 205.40 ± 2.00 | K | NIST |
| Vc | 0.702 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [406.90; 500.43] | J/mol×K | [473.52; 637.74] |
|
| Cp,gas | 406.90 | J/mol×K | 473.52 | Joback Calculated Property |
| Cp,gas | 424.06 | J/mol×K | 500.89 | Joback Calculated Property |
| Cp,gas | 440.58 | J/mol×K | 528.26 | Joback Calculated Property |
| Cp,gas | 456.45 | J/mol×K | 555.63 | Joback Calculated Property |
| Cp,gas | 471.71 | J/mol×K | 583.00 | Joback Calculated Property |
| Cp,gas | 486.36 | J/mol×K | 610.37 | Joback Calculated Property |
| Cp,gas | 500.43 | J/mol×K | 637.74 | Joback Calculated Property |
| η | [0.0002026; 0.0101808] | Pa×s | [210.00; 473.52] |
|
| η | 0.0101808 | Pa×s | 210.00 | Joback Calculated Property |
| η | 0.0030132 | Pa×s | 253.92 | Joback Calculated Property |
| η | 0.0012770 | Pa×s | 297.84 | Joback Calculated Property |
| η | 0.0006749 | Pa×s | 341.76 | Joback Calculated Property |
| η | 0.0004124 | Pa×s | 385.68 | Joback Calculated Property |
| η | 0.0002787 | Pa×s | 429.60 | Joback Calculated Property |
| η | 0.0002026 | Pa×s | 473.52 | Joback Calculated Property |
| ΔvapH | 50.30 | kJ/mol | 418.50 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.66] | kPa | [358.39; 509.41] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.41966e+01 | |||
| Coefficient B | -3.71480e+03 | |||
| Coefficient C | -9.13150e+01 | |||
| Temperature range, min. | 358.39 | |||
| Temperature range, max. | 509.41 | |||
| Pvap | 1.33 | kPa | 358.39 | Calculated Property |
| Pvap | 3.03 | kPa | 375.17 | Calculated Property |
| Pvap | 6.30 | kPa | 391.95 | Calculated Property |
| Pvap | 12.10 | kPa | 408.73 | Calculated Property |
| Pvap | 21.78 | kPa | 425.51 | Calculated Property |
| Pvap | 37.05 | kPa | 442.29 | Calculated Property |
| Pvap | 60.06 | kPa | 459.07 | Calculated Property |
| Pvap | 93.33 | kPa | 475.85 | Calculated Property |
| Pvap | 139.78 | kPa | 492.63 | Calculated Property |
| Pvap | 202.66 | kPa | 509.41 | Calculated Property |
Similar Compounds
Find more compounds similar to Undecane, 5-methyl-.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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Outlier This icon means
that the value is more than 2 standard deviations away from the
property mean.