- 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 | Outlier 946.00 | NIST | |
| Inp | 938.00 | NIST | |
| Inp | 938.00 | NIST | |
| Inp | 938.00 | NIST | |
| Tboil | 431.83 | K | Relay (1.0) Calculated Property |
| Tc | 603.56 | K | Relay (1.0) Calculated Property |
| Tfus | 172.37 | K | Relay (1.0) Calculated Property |
| Vc | 0.534 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [316.97; 405.72] | J/mol×K | [424.97; 597.50] |
|
| Cp,gas | 316.97 | J/mol×K | 424.97 | Joback Calculated Property |
| Cp,gas | 333.53 | J/mol×K | 453.73 | Joback Calculated Property |
| Cp,gas | 349.34 | J/mol×K | 482.48 | Joback Calculated Property |
| Cp,gas | 364.44 | J/mol×K | 511.24 | Joback Calculated Property |
| Cp,gas | 378.86 | J/mol×K | 539.99 | Joback Calculated Property |
| Cp,gas | 392.61 | J/mol×K | 568.75 | Joback Calculated Property |
| Cp,gas | 405.72 | J/mol×K | 597.50 | Joback Calculated Property |
| η | [0.0002495; 0.0108562] | Pa×s | [204.88; 424.97] |
|
| η | 0.0108562 | Pa×s | 204.88 | Joback Calculated Property |
| η | 0.0035911 | Pa×s | 241.56 | Joback Calculated Property |
| η | 0.0015903 | Pa×s | 278.24 | Joback Calculated Property |
| η | 0.0008514 | Pa×s | 314.92 | Joback Calculated Property |
| η | 0.0005192 | Pa×s | 351.61 | Joback Calculated Property |
| η | 0.0003477 | Pa×s | 388.29 | Joback Calculated Property |
| η | 0.0002495 | Pa×s | 424.97 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.67] | kPa | [316.95; 463.25] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| 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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that the value is more than 2 standard deviations away from the
property mean.