- InChI
- InChI=1S/C10H22/c1-5-8-10(4,7-3)9-6-2/h5-9H2,1-4H3
- InChI Key
- MPYQJQDSICRCJJ-UHFFFAOYSA-N
- Formula
- C10H22
- SMILES
- CCCC(C)(CC)CCC
- Molecular Weight1
- 142.28
- CAS
- 17302-04-4
- Other Names
-
- 4-Ethyl-4-methylheptane
- 4-Methyl-4-ethylheptane
- 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 | 0.3888 | Relay (1.0) Calculated Property | |
| ΔfG° | 36.16 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -247.96 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 14.24 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 47.20 | kJ/mol | NIST |
| IE | 9.19 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.30 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.003 | Crippen Calculated Property | |
| McVol | 151.760 | ml/mol | McGowan Calculated Property |
| Pc | 2145.33 | kPa | Joback Calculated Property |
| Inp | [937.60; 946.00] |
|
|
| Inp | 938.00 | NIST | |
| Inp | 937.60 | NIST | |
| Inp | 938.00 | NIST | |
| Inp | 946.00 | NIST | |
| Inp | 938.00 | NIST | |
| Inp | 938.00 | NIST | |
| Inp | 938.00 | NIST | |
| Inp | 946.00 | NIST | |
| Tboil | 431.83 | K | Relay (1.0) Calculated Property |
| Tc | 610.05 | K | Relay (1.0) Calculated Property |
| Tfus | 170.00 | K | Relay (1.0) Calculated Property |
| Vc | 0.538 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [216.16; 536.70] | 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 | -3.06750e+01 | |||
| Coefficient B | 1.07968e+00 | |||
| Coefficient C | -6.92000e-04 | |||
| Coefficient D | 1.79700e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 216.16 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 272.64 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 322.58 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 366.54 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 405.10 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 438.82 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 468.27 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 494.03 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 516.65 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 536.71 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0108562; 0.0002636] | Pa×s | [204.88; 418.45] |
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 | -1.18082e+01 | |||
| Coefficient B | 1.49258e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 204.88 | |||
| Temperature range, max. | 418.45 | |||
| η | 0.0108562 | Pa×s | 204.88 | Calculated Property |
| η | 0.0050964 | Pa×s | 228.61 | Calculated Property |
| η | 0.0027582 | Pa×s | 252.34 | Calculated Property |
| η | 0.0016589 | Pa×s | 276.07 | Calculated Property |
| η | 0.0010813 | Pa×s | 299.80 | Calculated Property |
| η | 0.0007505 | Pa×s | 323.53 | Calculated Property |
| η | 0.0005476 | Pa×s | 347.26 | Calculated Property |
| η | 0.0004160 | Pa×s | 370.99 | Calculated Property |
| η | 0.0003266 | Pa×s | 394.72 | Calculated Property |
| η | 0.0002636 | Pa×s | 418.45 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.67] | kPa | [316.95; 463.25] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.42220e+01 | |||
| Coefficient B | -3.61559e+03 | |||
| Coefficient C | -5.74800e+01 | |||
| Temperature range, min. | 316.95 | |||
| Temperature range, max. | 463.25 | |||
| Pvap | 1.33 | kPa | 316.95 | Calculated Property |
| Pvap | 3.03 | kPa | 333.21 | Calculated Property |
| Pvap | 6.29 | kPa | 349.46 | Calculated Property |
| Pvap | 12.09 | kPa | 365.72 | Calculated Property |
| Pvap | 21.75 | kPa | 381.97 | Calculated Property |
| Pvap | 37.01 | kPa | 398.23 | Calculated Property |
| Pvap | 60.00 | kPa | 414.48 | Calculated Property |
| Pvap | 93.27 | kPa | 430.74 | Calculated Property |
| Pvap | 139.73 | kPa | 446.99 | Calculated Property |
| Pvap | 202.67 | kPa | 463.25 | Calculated Property |
Similar Compounds
Find more compounds similar to Heptane, 4-ethyl-4-methyl-.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- KDB
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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