- InChI
- InChI=1S/C10H22/c1-5-8-10(7-3)9(4)6-2/h9-10H,5-8H2,1-4H3
- InChI Key
- BTGGSWBKRYMHQK-UHFFFAOYSA-N
- Formula
- C10H22
- SMILES
- CCCC(CC)C(C)CC
- Molecular Weight1
- 142.28
- CAS
- 52896-89-6
- Other Names
-
- 3-Methyl-4-ethylheptane
- 4-Ethyl-3-methylheptane
- 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 | 0.3997 | Relay (1.0) Calculated Property | |
| ΔfG° | 28.44 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -241.97 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 14.61 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 47.70 | kJ/mol | NIST |
| IE | 9.23 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.29 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.859 | Crippen Calculated Property | |
| McVol | 151.760 | ml/mol | McGowan Calculated Property |
| Pc | 2139.38 | kPa | Joback Calculated Property |
| Inp | [935.00; 936.00] |
|
|
| Inp | 936.00 | NIST | |
| Inp | 935.70 | NIST | |
| Inp | Outlier 935.00 | NIST | |
| Inp | 936.00 | NIST | |
| Inp | 936.00 | NIST | |
| Inp | 936.00 | NIST | |
| Tboil | 432.72 | K | Relay (1.0) Calculated Property |
| Tc | 611.08 | K | Relay (1.0) Calculated Property |
| Tfus | 175.88 | K | Relay (1.0) Calculated Property |
| Vc | 0.546 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [315.38; 402.08] | J/mol×K | [427.52; 597.20] |
|
| Cp,gas | 315.38 | J/mol×K | 427.52 | Joback Calculated Property |
| Cp,gas | 331.30 | J/mol×K | 455.80 | Joback Calculated Property |
| Cp,gas | 346.62 | J/mol×K | 484.08 | Joback Calculated Property |
| Cp,gas | 361.34 | J/mol×K | 512.36 | Joback Calculated Property |
| Cp,gas | 375.48 | J/mol×K | 540.64 | Joback Calculated Property |
| Cp,gas | 389.05 | J/mol×K | 568.92 | Joback Calculated Property |
| Cp,gas | 402.08 | J/mol×K | 597.20 | Joback Calculated Property |
| η | [0.0002168; 0.0214146] | Pa×s | [172.46; 427.52] |
|
| η | 0.0214146 | Pa×s | 172.46 | Joback Calculated Property |
| η | 0.0046726 | Pa×s | 214.97 | Joback Calculated Property |
| η | 0.0016855 | Pa×s | 257.48 | Joback Calculated Property |
| η | 0.0008117 | Pa×s | 299.99 | Joback Calculated Property |
| η | 0.0004686 | Pa×s | 342.50 | Joback Calculated Property |
| η | 0.0003054 | Pa×s | 385.01 | Joback Calculated Property |
| η | 0.0002168 | Pa×s | 427.52 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [318.58; 464.48] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.43119e+01 | |||
| Coefficient B | -3.66568e+03 | |||
| Coefficient C | -5.72050e+01 | |||
| Temperature range, min. | 318.58 | |||
| Temperature range, max. | 464.48 | |||
| Pvap | 1.33 | kPa | 318.58 | Calculated Property |
| Pvap | 3.02 | kPa | 334.79 | Calculated Property |
| Pvap | 6.27 | kPa | 351.00 | Calculated Property |
| Pvap | 12.03 | kPa | 367.21 | Calculated Property |
| Pvap | 21.65 | kPa | 383.42 | Calculated Property |
| Pvap | 36.86 | kPa | 399.64 | Calculated Property |
| Pvap | 59.79 | kPa | 415.85 | Calculated Property |
| Pvap | 93.03 | kPa | 432.06 | Calculated Property |
| Pvap | 139.53 | kPa | 448.27 | Calculated Property |
| Pvap | 202.64 | kPa | 464.48 | Calculated Property |
Similar Compounds
Find more compounds similar to Heptane, 4-ethyl-3-methyl-.
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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