- InChI
- InChI=1S/C10H22/c1-6-7-9(4)10(5)8(2)3/h8-10H,6-7H2,1-5H3
- InChI Key
- UVVYAKOLFKEZEE-UHFFFAOYSA-N
- Formula
- C10H22
- SMILES
- CCCC(C)C(C)C(C)C
- Molecular Weight1
- 142.28
- CAS
- 52896-95-4
- Other Names
-
- 2,3,4-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° | 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° | 47.30 | 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 | [933.00; 934.00] |
|
|
| Inp | 933.00 | NIST | |
| Inp | 933.40 | NIST | |
| Inp | 933.00 | NIST | |
| Inp | Outlier 934.00 | NIST | |
| Inp | 933.00 | NIST | |
| Inp | 933.00 | NIST | |
| Tboil | 429.00 ± 3.00 | 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 | [316.67; 462.24] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.41811e+01 | |||
| Coefficient B | -3.57057e+03 | |||
| Coefficient C | -5.96790e+01 | |||
| Temperature range, min. | 316.67 | |||
| Temperature range, max. | 462.24 | |||
| Pvap | 1.33 | kPa | 316.67 | Calculated Property |
| Pvap | 3.03 | kPa | 332.84 | Calculated Property |
| Pvap | 6.30 | kPa | 349.02 | Calculated Property |
| Pvap | 12.11 | kPa | 365.19 | Calculated Property |
| Pvap | 21.79 | kPa | 381.37 | Calculated Property |
| Pvap | 37.08 | kPa | 397.54 | Calculated Property |
| Pvap | 60.09 | kPa | 413.72 | Calculated Property |
| Pvap | 93.36 | kPa | 429.89 | Calculated Property |
| Pvap | 139.80 | kPa | 446.07 | Calculated Property |
| Pvap | 202.65 | kPa | 462.24 | Calculated Property |
| Pvap | [1.37; 2291.29] | kPa | [317.15; 613.70] |
KDB Vap...
|
| Equation | ln(Pvp) = A + B/T + C*ln(T) + D*T^2 | |||
| Coefficient A | 9.89072e+01 | |||
| Coefficient B | -8.91297e+03 | |||
| Coefficient C | -1.23664e+01 | |||
| Coefficient D | 7.27290e-06 | |||
| Temperature range, min. | 317.15 | |||
| Temperature range, max. | 613.70 | |||
| Pvap | 1.37 | kPa | 317.15 | Calculated Property |
| Pvap | 6.65 | kPa | 350.10 | Calculated Property |
| Pvap | 23.30 | kPa | 383.05 | Calculated Property |
| Pvap | 64.24 | kPa | 416.00 | Calculated Property |
| Pvap | 148.36 | kPa | 448.95 | Calculated Property |
| Pvap | 300.17 | kPa | 481.90 | Calculated Property |
| Pvap | 549.49 | kPa | 514.85 | Calculated Property |
| Pvap | 932.44 | kPa | 547.80 | Calculated Property |
| Pvap | 1493.79 | kPa | 580.75 | Calculated Property |
| Pvap | 2291.29 | kPa | 613.70 | Calculated Property |
Similar Compounds
Find more compounds similar to Heptane, 2,3,4-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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