- InChI
- InChI=1S/C12H26/c1-4-6-7-8-9-11-12(3)10-5-2/h12H,4-11H2,1-3H3
- InChI Key
- KNMXZGDUJVOTOC-UHFFFAOYSA-N
- Formula
- C12H26
- SMILES
- CCCCCCCC(C)CCC
- Molecular Weight1
- 170.34
- CAS
- 2980-69-0
- Other Names
-
- 4-Methylundecane
- 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.
- 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 | 0.5273 | Relay (1.0) Calculated Property | |
| ΔfG° | 47.72 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -295.29 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 23.31 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 56.32 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.56 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.37 | Relay (1.0) 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 | [1156.00; 1167.00] |
|
|
| Inp | 1159.00 | NIST | |
| Inp | 1163.00 | NIST | |
| Inp | 1163.00 | NIST | |
| Inp | 1164.00 | NIST | |
| Inp | Outlier 1166.00 | NIST | |
| Inp | Outlier 1166.00 | NIST | |
| Inp | Outlier 1167.00 | NIST | |
| Inp | 1162.00 | NIST | |
| Inp | Outlier 1156.00 | NIST | |
| Inp | 1158.60 | NIST | |
| Inp | 1159.00 | NIST | |
| Inp | 1160.00 | NIST | |
| Inp | 1161.00 | NIST | |
| Inp | 1160.82 | NIST | |
| Inp | 1161.04 | NIST | |
| Inp | 1161.03 | NIST | |
| Inp | 1160.03 | NIST | |
| Inp | 1160.34 | NIST | |
| Inp | 1160.35 | NIST | |
| Inp | 1160.00 | NIST | |
| Inp | 1159.00 | NIST | |
| Inp | 1158.00 | NIST | |
| Inp | 1160.00 | NIST | |
| Inp | 1162.00 | NIST | |
| Inp | 1161.20 | NIST | |
| Inp | 1160.00 | NIST | |
| Inp | 1159.00 | NIST | |
| Inp | 1159.00 | NIST | |
| Inp | 1160.00 | NIST | |
| Inp | 1161.00 | NIST | |
| Inp | 1160.34 | NIST | |
| Inp | 1159.00 | NIST | |
| Inp | Outlier 1166.00 | NIST | |
| I | 1147.00 | NIST | |
| Tboil | 483.00 ± 3.00 | K | NIST |
| Tc | 642.52 | K | Relay (1.0) Calculated Property |
| Tfus | 206.50 ± 2.00 | K | NIST |
| Vc | 0.688 | m3/kmol | Relay (1.0) 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 | 51.60 | kJ/mol | 420.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.67] | kPa | [360.54; 512.61] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.42064e+01 | |||
| Coefficient B | -3.74738e+03 | |||
| Coefficient C | -9.13150e+01 | |||
| Temperature range, min. | 360.54 | |||
| Temperature range, max. | 512.61 | |||
| Pvap | 1.33 | kPa | 360.54 | Calculated Property |
| Pvap | 3.03 | kPa | 377.44 | Calculated Property |
| Pvap | 6.29 | kPa | 394.33 | Calculated Property |
| Pvap | 12.09 | kPa | 411.23 | Calculated Property |
| Pvap | 21.77 | kPa | 428.13 | Calculated Property |
| Pvap | 37.04 | kPa | 445.02 | Calculated Property |
| Pvap | 60.04 | kPa | 461.92 | Calculated Property |
| Pvap | 93.30 | kPa | 478.82 | Calculated Property |
| Pvap | 139.76 | kPa | 495.71 | Calculated Property |
| Pvap | 202.67 | kPa | 512.61 | Calculated Property |
Similar Compounds
Find more compounds similar to Undecane, 4-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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that the value is more than 2 standard deviations away from the
property mean.