- InChI
- InChI=1S/C10H22/c1-6-8(3)10(5)9(4)7-2/h8-10H,6-7H2,1-5H3
- InChI Key
- LJIIBBYARMPSMT-UHFFFAOYSA-N
- Formula
- C10H22
- SMILES
- CCC(C)C(C)C(C)CC
- Molecular Weight1
- 142.28
- CAS
- 20278-89-1
- Other Names
-
- 3,4,5-Trimethylheptane
- 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).
- Δc,grossH : Heat of Combustion, Gross form (kJ/mol).
- Δc,netH : Heat of Combustion, Net Form (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).
- ΔvapH : Enthalpy of vaporization at a given temperature (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).
- n0 : Refractive Index.
- 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).
- Zc : Critical Compressibility.
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.4170 | KDB | |
| ΔfG° | 26.00 | kJ/mol | Joback Calculated Property |
| Δc,grossH | 6775.90 | kJ/mol | KDB |
| Δc,netH | 6291.774 | kJ/mol | KDB |
| 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 | 2240.00 | kPa | KDB |
| Inp | [945.00; 947.00] |
|
|
| Inp | 945.00 | NIST | |
| Inp | 945.90 | NIST | |
| Inp | 946.80 | NIST | |
| Inp | 946.00 | NIST | |
| Inp | 947.00 | NIST | |
| Inp | 945.00 | NIST | |
| Inp | 945.20 | NIST | |
| Inp | 945.20 | NIST | |
| Inp | 945.00 | NIST | |
| Inp | 945.00 | NIST | |
| Inp | 945.00 | NIST | |
| Tboil | 435.70 | K | KDB |
| Tc | 612.80 | K | KDB |
| Tfus | 219.00 | K | KDB |
| Vc | 0.547 | m3/kmol | KDB |
| Zc | 0.2404810 | KDB |
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 |
| ΔvapH | 37.45 | kJ/mol | 435.70 | KDB |
| n0 | 1.42060 | 298.15 | KDB | |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [318.23; 464.84] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.44018e+01 | |||
| Coefficient B | -3.74439e+03 | |||
| Coefficient C | -5.29330e+01 | |||
| Temperature range, min. | 318.23 | |||
| Temperature range, max. | 464.84 | |||
| Pvap | 1.33 | kPa | 318.23 | Calculated Property |
| Pvap | 3.02 | kPa | 334.52 | Calculated Property |
| Pvap | 6.24 | kPa | 350.81 | Calculated Property |
| Pvap | 11.98 | kPa | 367.10 | Calculated Property |
| Pvap | 21.56 | kPa | 383.39 | Calculated Property |
| Pvap | 36.71 | kPa | 399.68 | Calculated Property |
| Pvap | 59.60 | kPa | 415.97 | Calculated Property |
| Pvap | 92.82 | kPa | 432.26 | Calculated Property |
| Pvap | 139.37 | kPa | 448.55 | Calculated Property |
| Pvap | 202.64 | kPa | 464.84 | Calculated Property |
| Pvap | [1.33; 2256.40] | kPa | [318.15; 612.80] |
KDB Vap...
|
| Equation | ln(Pvp) = A + B/T + C*ln(T) + D*T^2 | |||
| Coefficient A | 1.01903e+02 | |||
| Coefficient B | -9.02814e+03 | |||
| Coefficient C | -1.28511e+01 | |||
| Coefficient D | 8.06773e-06 | |||
| Temperature range, min. | 318.15 | |||
| Temperature range, max. | 612.80 | |||
| Pvap | 1.33 | kPa | 318.15 | Calculated Property |
| Pvap | 6.38 | kPa | 350.89 | Calculated Property |
| Pvap | 22.14 | kPa | 383.63 | Calculated Property |
| Pvap | 60.74 | kPa | 416.37 | Calculated Property |
| Pvap | 140.20 | kPa | 449.11 | Calculated Property |
| Pvap | 284.47 | kPa | 481.84 | Calculated Property |
| Pvap | 523.79 | kPa | 514.58 | Calculated Property |
| Pvap | 896.38 | kPa | 547.32 | Calculated Property |
| Pvap | 1451.76 | kPa | 580.06 | Calculated Property |
| Pvap | 2256.40 | kPa | 612.80 | Calculated Property |
Similar Compounds
Find more compounds similar to Heptane, 3,4,5-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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