- InChI
- InChI=1S/C10H22/c1-8(2)6-10(5)7-9(3)4/h8-10H,6-7H2,1-5H3
- InChI Key
- YNLBBDHDNIXQNL-UHFFFAOYSA-N
- Formula
- C10H22
- SMILES
- CC(C)CC(C)CC(C)C
- Molecular Weight1
- 142.28
- CAS
- 2613-61-8
- Other Names
-
- 2,4,6-Trimethylheptane
- 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).
- 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° | 26.00 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -265.57 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 11.09 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 46.40 | kJ/mol | NIST |
| log10WS | -3.28 | Crippen Calculated Property | |
| logPoct/wat | 3.715 | Crippen Calculated Property | |
| McVol | 151.760 | ml/mol | McGowan Calculated Property |
| Pc | 2155.30 | kPa | Joback Calculated Property |
| Inp | [869.00; 877.12] |
|
|
| Inp | 870.00 | NIST | |
| Inp | 870.10 | NIST | |
| Inp | 869.80 | NIST | |
| Inp | 870.00 | NIST | |
| Inp | 874.00 | NIST | |
| Inp | 869.00 | NIST | |
| Inp | 874.60 | NIST | |
| Inp | 876.19 | NIST | |
| Inp | 876.71 | NIST | |
| Inp | 877.12 | NIST | |
| Inp | 874.05 | NIST | |
| Inp | 874.49 | NIST | |
| Inp | 874.86 | NIST | |
| Inp | 874.00 | NIST | |
| Inp | 870.00 | NIST | |
| Inp | 870.00 | NIST | |
| Inp | 874.00 | NIST | |
| I | 888.00 | NIST | |
| Tboil | [419.00; 420.75] | K |
|
| Tboil | 419.00 ± 0.50 | K | NIST |
| Tboil | 420.75 ± 0.50 | K | NIST |
| Tc | 600.24 | K | Joback Calculated Property |
| Tfus | 157.46 | K | Joback Calculated Property |
| Vc | 0.578 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [315.23; 404.05] | J/mol×K | [426.88; 600.24] |
|
| Cp,gas | 315.23 | J/mol×K | 426.88 | Joback Calculated Property |
| Cp,gas | 331.59 | J/mol×K | 455.77 | Joback Calculated Property |
| Cp,gas | 347.31 | J/mol×K | 484.67 | Joback Calculated Property |
| Cp,gas | 362.39 | J/mol×K | 513.56 | Joback Calculated Property |
| Cp,gas | 376.87 | J/mol×K | 542.45 | Joback Calculated Property |
| Cp,gas | 390.75 | J/mol×K | 571.35 | Joback Calculated Property |
| Cp,gas | 404.05 | J/mol×K | 600.24 | Joback Calculated Property |
| η | [0.0002081; 0.0495825] | Pa×s | [157.46; 426.88] |
|
| η | 0.0495825 | Pa×s | 157.46 | Joback Calculated Property |
| η | 0.0072381 | Pa×s | 202.36 | Joback Calculated Property |
| η | 0.0021254 | Pa×s | 247.27 | Joback Calculated Property |
| η | 0.0009096 | Pa×s | 292.17 | Joback Calculated Property |
| η | 0.0004880 | Pa×s | 337.07 | Joback Calculated Property |
| η | 0.0003031 | Pa×s | 381.98 | Joback Calculated Property |
| η | 0.0002081 | Pa×s | 426.88 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.65] | kPa | [309.46; 448.83] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.40377e+01 | |||
| Coefficient B | -3.32859e+03 | |||
| Coefficient C | -6.73840e+01 | |||
| Temperature range, min. | 309.46 | |||
| Temperature range, max. | 448.83 | |||
| Pvap | 1.33 | kPa | 309.46 | Calculated Property |
| Pvap | 3.05 | kPa | 324.95 | Calculated Property |
| Pvap | 6.34 | kPa | 340.43 | Calculated Property |
| Pvap | 12.20 | kPa | 355.92 | Calculated Property |
| Pvap | 21.96 | kPa | 371.40 | Calculated Property |
| Pvap | 37.33 | kPa | 386.89 | Calculated Property |
| Pvap | 60.42 | kPa | 402.37 | Calculated Property |
| Pvap | 93.72 | kPa | 417.86 | Calculated Property |
| Pvap | 140.08 | kPa | 433.34 | Calculated Property |
| Pvap | 202.65 | kPa | 448.83 | Calculated Property |
| Pvap | [1.31; 2145.21] | kPa | [309.15; 590.30] |
KDB Vap...
|
| Equation | ln(Pvp) = A + B/T + C*ln(T) + D*T^2 | |||
| Coefficient A | 1.06344e+02 | |||
| Coefficient B | -9.14819e+03 | |||
| Coefficient C | -1.34729e+01 | |||
| Coefficient D | 8.00574e-06 | |||
| Temperature range, min. | 309.15 | |||
| Temperature range, max. | 590.30 | |||
| Pvap | 1.31 | kPa | 309.15 | Calculated Property |
| Pvap | 6.35 | kPa | 340.39 | Calculated Property |
| Pvap | 22.25 | kPa | 371.63 | Calculated Property |
| Pvap | 61.40 | kPa | 402.87 | Calculated Property |
| Pvap | 141.84 | kPa | 434.11 | Calculated Property |
| Pvap | 286.60 | kPa | 465.34 | Calculated Property |
| Pvap | 523.21 | kPa | 496.58 | Calculated Property |
| Pvap | 884.07 | kPa | 527.82 | Calculated Property |
| Pvap | 1408.29 | kPa | 559.06 | Calculated Property |
| Pvap | 2145.21 | kPa | 590.30 | Calculated Property |
Similar Compounds
Find more compounds similar to Heptane, 2,4,6-trimethyl-.
Sources
- KDB Vapor Pressure Data
- Crippen Method
- Crippen Method
- Joback Method
- KDB
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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