- InChI
- InChI=1S/C10H22/c1-5-8-9(4)10(6-2)7-3/h9-10H,5-8H2,1-4H3
- InChI Key
- JZBKRUIGSVOOIC-UHFFFAOYSA-N
- Formula
- C10H22
- SMILES
- CCCC(C)C(CC)CC
- Molecular Weight1
- 142.28
- CAS
- 52896-91-0
- Other Names
-
- 3-Ethyl-4-methylheptane
- 4-Methyl-3-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 | 0.3912 | Relay (1.0) Calculated Property | |
| ΔfG° | 28.44 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -243.38 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 14.61 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 48.10 | kJ/mol | NIST |
| IE | 9.33 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.25 | 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 | [938.00; 940.50] |
|
|
| Inp | 940.00 | NIST | |
| Inp | 940.50 | NIST | |
| Inp | Outlier 938.00 | NIST | |
| Inp | 940.00 | NIST | |
| Inp | 940.00 | NIST | |
| Inp | 940.00 | NIST | |
| Inp | 940.00 | NIST | |
| Tboil | 432.65 | K | Relay (1.0) Calculated Property |
| Tc | 602.73 | K | Relay (1.0) Calculated Property |
| Tfus | 164.15 | K | Relay (1.0) Calculated Property |
| Vc | 0.538 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [315.26; 401.95] | J/mol×K | [427.32; 596.92] |
|
| Cp,gas | 315.26 | J/mol×K | 427.32 | Joback Calculated Property |
| Cp,gas | 331.18 | J/mol×K | 455.59 | Joback Calculated Property |
| Cp,gas | 346.50 | J/mol×K | 483.85 | Joback Calculated Property |
| Cp,gas | 361.21 | J/mol×K | 512.12 | Joback Calculated Property |
| Cp,gas | 375.35 | J/mol×K | 540.39 | Joback Calculated Property |
| Cp,gas | 388.93 | J/mol×K | 568.65 | Joback Calculated Property |
| Cp,gas | 401.95 | J/mol×K | 596.92 | Joback Calculated Property |
| η | [0.0002171; 0.0214146] | Pa×s | [172.46; 427.32] |
|
| η | 0.0214146 | Pa×s | 172.46 | Joback Calculated Property |
| η | 0.0046771 | Pa×s | 214.94 | Joback Calculated Property |
| η | 0.0016877 | Pa×s | 257.41 | Joback Calculated Property |
| η | 0.0008129 | Pa×s | 299.89 | Joback Calculated Property |
| η | 0.0004693 | Pa×s | 342.37 | Joback Calculated Property |
| η | 0.0003059 | Pa×s | 384.84 | Joback Calculated Property |
| η | 0.0002171 | Pa×s | 427.32 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.65] | kPa | [319.26; 465.33] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.42973e+01 | |||
| Coefficient B | -3.66022e+03 | |||
| Coefficient C | -5.79990e+01 | |||
| Temperature range, min. | 319.26 | |||
| Temperature range, max. | 465.33 | |||
| Pvap | 1.33 | kPa | 319.26 | Calculated Property |
| Pvap | 3.03 | kPa | 335.49 | Calculated Property |
| Pvap | 6.27 | kPa | 351.72 | Calculated Property |
| Pvap | 12.04 | kPa | 367.95 | Calculated Property |
| Pvap | 21.67 | kPa | 384.18 | Calculated Property |
| Pvap | 36.88 | kPa | 400.41 | Calculated Property |
| Pvap | 59.83 | kPa | 416.64 | Calculated Property |
| Pvap | 93.07 | kPa | 432.87 | Calculated Property |
| Pvap | 139.57 | kPa | 449.10 | Calculated Property |
| Pvap | 202.65 | kPa | 465.33 | Calculated Property |
Similar Compounds
Find more compounds similar to Heptane, 3-ethyl-4-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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