- InChI
- InChI=1S/C10H22/c1-6-7-9(2)8-10(3,4)5/h9H,6-8H2,1-5H3
- InChI Key
- IIYGOARYARWJBO-UHFFFAOYSA-N
- Formula
- C10H22
- SMILES
- CCCC(C)CC(C)(C)C
- Molecular Weight1
- 142.28
- CAS
- 14720-74-2
- Other Names
-
- 2,2,4-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.
- 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° | 33.72 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -263.76 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 10.72 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 45.60 | kJ/mol | NIST |
| log10WS | -3.52 | Crippen Calculated Property | |
| logPoct/wat | 3.859 | Crippen Calculated Property | |
| McVol | 151.760 | ml/mol | McGowan Calculated Property |
| Pc | 2161.32 | kPa | Joback Calculated Property |
| Inp | [874.00; 900.00] |
|
|
| Inp | 876.00 | NIST | |
| Inp | 875.70 | NIST | |
| Inp | 875.30 | NIST | |
| Inp | Outlier 900.00 | NIST | |
| Inp | 876.00 | NIST | |
| Inp | 875.00 | NIST | |
| Inp | 875.00 | NIST | |
| Inp | 889.00 | NIST | |
| Inp | 874.00 | NIST | |
| Inp | 889.90 | NIST | |
| Inp | 890.00 | NIST | |
| Inp | 884.00 | NIST | |
| Inp | 883.00 | NIST | |
| Inp | 876.00 | NIST | |
| Inp | 876.00 | NIST | |
| Inp | 890.00 | NIST | |
| Inp | 884.00 | NIST | |
| Tboil | [419.15; 425.12] | K |
|
| Tboil | 419.15 ± 1.50 | K | NIST |
| Tboil | 422.55 ± 2.00 | K | NIST |
| Tboil | 425.12 ± 1.00 | K | NIST |
| Tc | 600.93 | K | Joback Calculated Property |
| Tfus | 189.88 | K | Joback Calculated Property |
| Vc | 0.579 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [316.93; 407.85] | J/mol×K | [424.53; 600.93] |
|
| Cp,gas | 316.93 | J/mol×K | 424.53 | Joback Calculated Property |
| Cp,gas | 333.94 | J/mol×K | 453.93 | Joback Calculated Property |
| Cp,gas | 350.18 | J/mol×K | 483.33 | Joback Calculated Property |
| Cp,gas | 365.66 | J/mol×K | 512.73 | Joback Calculated Property |
| Cp,gas | 380.41 | J/mol×K | 542.13 | Joback Calculated Property |
| Cp,gas | 394.47 | J/mol×K | 571.53 | Joback Calculated Property |
| Cp,gas | 407.85 | J/mol×K | 600.93 | Joback Calculated Property |
| η | [0.0002394; 0.0206027] | Pa×s | [189.88; 424.53] |
|
| η | 0.0206027 | Pa×s | 189.88 | Joback Calculated Property |
| η | 0.0052013 | Pa×s | 228.99 | Joback Calculated Property |
| η | 0.0019620 | Pa×s | 268.10 | Joback Calculated Property |
| η | 0.0009486 | Pa×s | 307.20 | Joback Calculated Property |
| η | 0.0005405 | Pa×s | 346.31 | Joback Calculated Property |
| η | 0.0003452 | Pa×s | 385.42 | Joback Calculated Property |
| η | 0.0002394 | Pa×s | 424.53 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [308.52; 449.96] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.40223e+01 | |||
| Coefficient B | -3.36840e+03 | |||
| Coefficient C | -6.32730e+01 | |||
| Temperature range, min. | 308.52 | |||
| Temperature range, max. | 449.96 | |||
| Pvap | 1.33 | kPa | 308.52 | Calculated Property |
| Pvap | 3.05 | kPa | 324.24 | Calculated Property |
| Pvap | 6.35 | kPa | 339.95 | Calculated Property |
| Pvap | 12.21 | kPa | 355.67 | Calculated Property |
| Pvap | 21.97 | kPa | 371.38 | Calculated Property |
| Pvap | 37.35 | kPa | 387.10 | Calculated Property |
| Pvap | 60.45 | kPa | 402.81 | Calculated Property |
| Pvap | 93.76 | kPa | 418.53 | Calculated Property |
| Pvap | 140.11 | kPa | 434.24 | Calculated Property |
| Pvap | 202.64 | kPa | 449.96 | Calculated Property |
| Pvap | [1.30; 2168.79] | kPa | [308.15; 594.50] |
KDB Vap...
|
| Equation | ln(Pvp) = A + B/T + C*ln(T) + D*T^2 | |||
| Coefficient A | 1.00470e+02 | |||
| Coefficient B | -8.80083e+03 | |||
| Coefficient C | -1.26277e+01 | |||
| Coefficient D | 7.57548e-06 | |||
| Temperature range, min. | 308.15 | |||
| Temperature range, max. | 594.50 | |||
| Pvap | 1.30 | kPa | 308.15 | Calculated Property |
| Pvap | 6.38 | kPa | 339.97 | Calculated Property |
| Pvap | 22.44 | kPa | 371.78 | Calculated Property |
| Pvap | 62.00 | kPa | 403.60 | Calculated Property |
| Pvap | 143.24 | kPa | 435.42 | Calculated Property |
| Pvap | 289.43 | kPa | 467.23 | Calculated Property |
| Pvap | 528.38 | kPa | 499.05 | Calculated Property |
| Pvap | 892.95 | kPa | 530.87 | Calculated Property |
| Pvap | 1422.98 | kPa | 562.68 | Calculated Property |
| Pvap | 2168.79 | kPa | 594.50 | Calculated Property |
Similar Compounds
Find more compounds similar to Heptane, 2,2,4-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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that the value is more than 2 standard deviations away from the
property mean.