- InChI
- InChI=1S/C14H30/c1-12(2)8-6-10-14(5)11-7-9-13(3)4/h12-14H,6-11H2,1-5H3
- InChI Key
- RMDGVETXJWRSGT-UHFFFAOYSA-N
- Formula
- C14H30
- SMILES
- CC(C)CCCC(C)CCCC(C)C
- Molecular Weight1
- 198.39
- Other Names
-
- Undecane, 2,6,10-trimethyl, isomer # 1
- 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).
- 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 | 0.5558 | Relay (1.0) Calculated Property | |
| ΔfG° | 59.68 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -380.10 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 21.45 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 63.29 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.41 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.81 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.275 | Crippen Calculated Property | |
| McVol | 208.120 | ml/mol | McGowan Calculated Property |
| Pc | 1552.45 | kPa | Joback Calculated Property |
| Inp | [1256.00; 1279.00] |
|
|
| Inp | 1279.00 | NIST | |
| Inp | 1275.00 | NIST | |
| Inp | 1268.00 | NIST | |
| Inp | 1260.00 | NIST | |
| Inp | 1273.00 | NIST | |
| Inp | 1275.00 | NIST | |
| Inp | 1259.00 | NIST | |
| Inp | 1260.00 | NIST | |
| Inp | 1275.00 | NIST | |
| Inp | 1260.00 | NIST | |
| Inp | 1256.00 | NIST | |
| Inp | 1259.00 | NIST | |
| Inp | 1260.00 | NIST | |
| Inp | 1261.00 | NIST | |
| Inp | 1263.00 | NIST | |
| Inp | 1277.00 | NIST | |
| Inp | 1261.00 | NIST | |
| Inp | 1263.00 | NIST | |
| Inp | 1279.00 | NIST | |
| Inp | 1275.00 | NIST | |
| Inp | 1261.00 | NIST | |
| Inp | 1263.00 | NIST | |
| Inp | 1256.00 | NIST | |
| Inp | 1277.00 | NIST | |
| Tboil | 501.84 | K | Relay (1.0) Calculated Property |
| Tc | 661.82 | K | Relay (1.0) Calculated Property |
| Tfus | 208.85 | K | Relay (1.0) Calculated Property |
| Vc | 0.790 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [301.53; 743.22] | 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 | -1.48840e+01 | |||
| Coefficient B | 1.35160e+00 | |||
| Coefficient C | -7.47400e-04 | |||
| Coefficient D | 1.53900e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 301.53 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 376.55 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 443.95 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 504.22 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 557.83 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 605.29 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 647.06 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 683.65 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 715.54 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 743.22 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0290632; 0.0001998] | Pa×s | [202.54; 481.07] |
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 | -1.21397e+01 | |||
| Coefficient B | 1.74214e+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. | 202.54 | |||
| Temperature range, max. | 481.07 | |||
| η | 0.0290632 | Pa×s | 202.54 | Calculated Property |
| η | 0.0092941 | Pa×s | 233.49 | Calculated Property |
| η | 0.0038812 | Pa×s | 264.44 | Calculated Property |
| η | 0.0019462 | Pa×s | 295.38 | Calculated Property |
| η | 0.0011124 | Pa×s | 326.33 | Calculated Property |
| η | 0.0007006 | Pa×s | 357.28 | Calculated Property |
| η | 0.0004749 | Pa×s | 388.23 | Calculated Property |
| η | 0.0003410 | Pa×s | 419.18 | Calculated Property |
| η | 0.0002562 | Pa×s | 450.12 | Calculated Property |
| η | 0.0001998 | Pa×s | 481.07 | Calculated Property |
Similar Compounds
Find more compounds similar to Undecane, 2,6,10-trimethyl.
Sources
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