- InChI
- InChI=1S/C10H22/c1-5-10(6-2)8-7-9(3)4/h9-10H,5-8H2,1-4H3
- InChI Key
- DGEMPTLPTFNEHJ-UHFFFAOYSA-N
- Formula
- C10H22
- SMILES
- CCC(CC)CCC(C)C
- Molecular Weight1
- 142.28
- CAS
- 13475-78-0
- Other Names
-
- 2-Methyl-5-ethylheptane
- 5-ETHYL-2-METHYLHEPTANE
- Heptane, 3-ethyl-6-methyl
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | 28.44 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -260.29 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 14.61 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 48.10 | kJ/mol | NIST |
| log10WS | -3.52 | Crippen 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 | [924.00; 925.00] |
|
|
| Inp | 925.00 | NIST | |
| Inp | 924.80 | NIST | |
| Inp | 924.00 | NIST | |
| Inp | 924.00 | NIST | |
| Inp | 925.00 | NIST | |
| Inp | 925.00 | NIST | |
| Inp | 924.00 | NIST | |
| Inp | 925.00 | NIST | |
| Tboil | 427.32 | K | Joback Calculated Property |
| Tc | 596.92 | K | Joback Calculated Property |
| Tfus | 172.46 | K | Joback Calculated Property |
| Vc | 0.584 | m3/kmol | Joback 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; 202.66] | kPa | [317.65; 461.65] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.42627e+01 | |||
| Coefficient B | -3.58549e+03 | |||
| Coefficient C | -6.10910e+01 | |||
| Temperature range, min. | 317.65 | |||
| Temperature range, max. | 461.65 | |||
| Pvap | 1.33 | kPa | 317.65 | Calculated Property |
| Pvap | 3.03 | kPa | 333.65 | Calculated Property |
| Pvap | 6.28 | kPa | 349.65 | Calculated Property |
| Pvap | 12.06 | kPa | 365.65 | Calculated Property |
| Pvap | 21.71 | kPa | 381.65 | Calculated Property |
| Pvap | 36.94 | kPa | 397.65 | Calculated Property |
| Pvap | 59.91 | kPa | 413.65 | Calculated Property |
| Pvap | 93.16 | kPa | 429.65 | Calculated Property |
| Pvap | 139.64 | kPa | 445.65 | Calculated Property |
| Pvap | 202.66 | kPa | 461.65 | Calculated Property |
| Pvap | [1.30; 2193.40] | kPa | [317.15; 606.70] |
KDB Vap...
|
| Equation | ln(Pvp) = A + B/T + C*ln(T) + D*T^2 | |||
| Coefficient A | 1.05026e+02 | |||
| Coefficient B | -9.24741e+03 | |||
| Coefficient C | -1.32662e+01 | |||
| Coefficient D | 7.93227e-06 | |||
| Temperature range, min. | 317.15 | |||
| Temperature range, max. | 606.70 | |||
| Pvap | 1.30 | kPa | 317.15 | Calculated Property |
| Pvap | 6.26 | kPa | 349.32 | Calculated Property |
| Pvap | 21.86 | kPa | 381.49 | Calculated Property |
| Pvap | 60.27 | kPa | 413.67 | Calculated Property |
| Pvap | 139.45 | kPa | 445.84 | Calculated Property |
| Pvap | 282.92 | kPa | 478.01 | Calculated Property |
| Pvap | 519.66 | kPa | 510.18 | Calculated Property |
| Pvap | 885.13 | kPa | 542.36 | Calculated Property |
| Pvap | 1423.76 | kPa | 574.53 | Calculated Property |
| Pvap | 2193.40 | kPa | 606.70 | Calculated Property |
Similar Compounds
Find more compounds similar to Heptane, 5-ethyl-2-methyl-.
Sources
- KDB Vapor Pressure Data
- Crippen Method
- Crippen Method
- Joback Method
- KDB
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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