- InChI
- InChI=1S/C15H32/c1-6-7-8-9-10-14(4)12-15(5)11-13(2)3/h13-15H,6-12H2,1-5H3
- InChI Key
- JLQUHHQIHZZTEZ-UHFFFAOYSA-N
- Formula
- C15H32
- SMILES
- CCCCCCC(C)CC(C)CC(C)C
- Molecular Weight1
- 212.42
- CAS
- 103387-11-7
- 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).
- 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 | 0.5748 | Relay (1.0) Calculated Property | |
| ΔfG° | 68.10 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -390.57 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 24.04 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 66.55 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.49 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.09 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.665 | Crippen Calculated Property | |
| McVol | 222.210 | ml/mol | McGowan Calculated Property |
| Pc | 1441.35 | kPa | Joback Calculated Property |
| Tboil | 510.98 | K | Relay (1.0) Calculated Property |
| Tc | 675.14 | K | Relay (1.0) Calculated Property |
| Tfus | 208.30 | K | Relay (1.0) Calculated Property |
| Vc | 0.834 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [322.74; 794.81] | 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 | -1.57930e+01 | |||
| Coefficient B | 1.44660e+00 | |||
| Coefficient C | -8.01800e-04 | |||
| Coefficient D | 1.65800e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 322.74 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 402.97 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 475.03 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 539.45 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 596.74 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 647.45 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 692.08 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 731.17 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 765.24 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 794.81 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0251735; 0.0001896] | Pa×s | [213.81; 496.33] |
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 | -1.22704e+01 | |||
| Coefficient B | 1.83630e+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. | 213.81 | |||
| Temperature range, max. | 496.33 | |||
| η | 0.0251735 | Pa×s | 213.81 | Calculated Property |
| η | 0.0083836 | Pa×s | 245.20 | Calculated Property |
| η | 0.0035835 | Pa×s | 276.59 | Calculated Property |
| η | 0.0018215 | Pa×s | 307.98 | Calculated Property |
| η | 0.0010493 | Pa×s | 339.37 | Calculated Property |
| η | 0.0006637 | Pa×s | 370.77 | Calculated Property |
| η | 0.0004509 | Pa×s | 402.16 | Calculated Property |
| η | 0.0003240 | Pa×s | 433.55 | Calculated Property |
| η | 0.0002434 | Pa×s | 464.94 | Calculated Property |
| η | 0.0001896 | Pa×s | 496.33 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.66] | kPa | [382.72; 536.32] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.78158e+01 | |||
| Coefficient B | -6.70102e+03 | |||
| Coefficient C | -4.20000e-01 | |||
| Temperature range, min. | 382.72 | |||
| Temperature range, max. | 536.32 | |||
| Pvap | 1.33 | kPa | 382.72 | Calculated Property |
| Pvap | 2.82 | kPa | 399.79 | Calculated Property |
| Pvap | 5.61 | kPa | 416.85 | Calculated Property |
| Pvap | 10.57 | kPa | 433.92 | Calculated Property |
| Pvap | 18.98 | kPa | 450.99 | Calculated Property |
| Pvap | 32.66 | kPa | 468.05 | Calculated Property |
| Pvap | 54.09 | kPa | 485.12 | Calculated Property |
| Pvap | 86.57 | kPa | 502.19 | Calculated Property |
| Pvap | 134.32 | kPa | 519.25 | Calculated Property |
| Pvap | 202.66 | kPa | 536.32 | Calculated Property |
Similar Compounds
Find more compounds similar to 2,4,6-trimethyldodecane.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- The Yaws Handbook of Vapor Pressure
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