- InChI
- InChI=1S/C10H22/c1-6-9(4)10(5)7-8(2)3/h8-10H,6-7H2,1-5H3
- InChI Key
- YMBNRMDSLJNNPF-UHFFFAOYSA-N
- Formula
- C10H22
- SMILES
- CCC(C)C(C)CC(C)C
- Molecular Weight1
- 142.28
- CAS
- 20278-84-6
- Other Names
-
- 2,4,5-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).
- 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).
- 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 |
|---|---|---|---|
| ω | 0.3848 | Relay (1.0) Calculated Property | |
| ΔfG° | 26.00 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -270.63 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 11.09 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 46.90 | kJ/mol | NIST |
| IE | 9.32 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.49 | Relay (1.0) 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 | [906.00; 908.00] |
|
|
| Inp | 907.00 | NIST | |
| Inp | 906.70 | NIST | |
| Inp | 906.00 | NIST | |
| Inp | 908.00 | NIST | |
| Inp | 907.00 | NIST | |
| Tboil | 426.94 | K | Relay (1.0) Calculated Property |
| Tc | 600.71 | K | Relay (1.0) Calculated Property |
| Tfus | 180.03 | K | Relay (1.0) Calculated Property |
| Vc | 0.552 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [216.68; 536.85] | 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 | -1.12480e+01 | |||
| Coefficient B | 9.71600e-01 | |||
| Coefficient C | -5.29800e-04 | |||
| Coefficient D | 1.06300e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 216.68 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 270.88 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 319.64 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 363.30 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 402.19 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 436.64 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 467.00 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 493.60 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 516.77 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 536.85 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0495825; 0.0002187] | Pa×s | [157.46; 420.37] |
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 | -1.16762e+01 | |||
| Coefficient B | 1.36550e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 157.46 | |||
| Temperature range, max. | 420.37 | |||
| η | 0.0495825 | Pa×s | 157.46 | Calculated Property |
| η | 0.0127633 | Pa×s | 186.67 | Calculated Property |
| η | 0.0047435 | Pa×s | 215.88 | Calculated Property |
| η | 0.0022320 | Pa×s | 245.10 | Calculated Property |
| η | 0.0012332 | Pa×s | 274.31 | Calculated Property |
| η | 0.0007638 | Pa×s | 303.52 | Calculated Property |
| η | 0.0005145 | Pa×s | 332.73 | Calculated Property |
| η | 0.0003695 | Pa×s | 361.94 | Calculated Property |
| η | 0.0002787 | Pa×s | 391.15 | Calculated Property |
| η | 0.0002187 | Pa×s | 420.37 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.65] | kPa | [314.46; 458.57] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.41575e+01 | |||
| Coefficient B | -3.51950e+03 | |||
| Coefficient C | -6.07060e+01 | |||
| Temperature range, min. | 314.46 | |||
| Temperature range, max. | 458.57 | |||
| Pvap | 1.33 | kPa | 314.46 | Calculated Property |
| Pvap | 3.04 | kPa | 330.47 | Calculated Property |
| Pvap | 6.31 | kPa | 346.48 | Calculated Property |
| Pvap | 12.13 | kPa | 362.50 | Calculated Property |
| Pvap | 21.82 | kPa | 378.51 | Calculated Property |
| Pvap | 37.12 | kPa | 394.52 | Calculated Property |
| Pvap | 60.15 | kPa | 410.53 | Calculated Property |
| Pvap | 93.42 | kPa | 426.55 | Calculated Property |
| Pvap | 139.85 | kPa | 442.56 | Calculated Property |
| Pvap | 202.65 | kPa | 458.57 | Calculated Property |
Similar Compounds
Find more compounds similar to Heptane, 2,4,5-trimethyl-.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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