- InChI
- InChI=1S/C10H22/c1-5-7-8-10(6-2)9(3)4/h9-10H,5-8H2,1-4H3
- InChI Key
- NKMJCVVUYDKHAV-UHFFFAOYSA-N
- Formula
- C10H22
- SMILES
- CCCCC(CC)C(C)C
- Molecular Weight1
- 142.28
- CAS
- 14676-29-0
- Other Names
-
- 2-METHYL-3-ETHYLHEPTANE
- 3-ETHYL-2-METHYLHEPTANE
- 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 | [937.00; 946.00] |
|
|
| Inp | 941.00 | NIST | |
| Inp | 941.70 | NIST | |
| Inp | 941.80 | NIST | |
| Inp | 941.00 | NIST | |
| Inp | 941.00 | NIST | |
| Inp | 940.65 | NIST | |
| Inp | 946.00 | NIST | |
| Inp | 942.40 | NIST | |
| Inp | 946.00 | NIST | |
| Inp | 938.00 | NIST | |
| Inp | 942.00 | NIST | |
| Inp | 943.00 | NIST | |
| Inp | 941.00 | NIST | |
| Inp | 941.00 | NIST | |
| Inp | 937.00 | NIST | |
| Inp | 946.00 | 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; 202.67] | kPa | [318.35; 463.35] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.42650e+01 | |||
| Coefficient B | -3.61192e+03 | |||
| Coefficient C | -5.99360e+01 | |||
| Temperature range, min. | 318.35 | |||
| Temperature range, max. | 463.35 | |||
| Pvap | 1.33 | kPa | 318.35 | Calculated Property |
| Pvap | 3.03 | kPa | 334.46 | Calculated Property |
| Pvap | 6.28 | kPa | 350.57 | Calculated Property |
| Pvap | 12.06 | kPa | 366.68 | Calculated Property |
| Pvap | 21.71 | kPa | 382.79 | Calculated Property |
| Pvap | 36.94 | kPa | 398.91 | Calculated Property |
| Pvap | 59.91 | kPa | 415.02 | Calculated Property |
| Pvap | 93.16 | kPa | 431.13 | Calculated Property |
| Pvap | 139.65 | kPa | 447.24 | Calculated Property |
| Pvap | 202.67 | kPa | 463.35 | Calculated Property |
| Pvap | [1.32; 2236.51] | kPa | [318.15; 610.90] |
KDB Vap...
|
| Equation | ln(Pvp) = A + B/T + C*ln(T) + D*T^2 | |||
| Coefficient A | 1.02506e+02 | |||
| Coefficient B | -9.13884e+03 | |||
| Coefficient C | -1.28894e+01 | |||
| Coefficient D | 7.63903e-06 | |||
| Temperature range, min. | 318.15 | |||
| Temperature range, max. | 610.90 | |||
| Pvap | 1.32 | kPa | 318.15 | Calculated Property |
| Pvap | 6.39 | kPa | 350.68 | Calculated Property |
| Pvap | 22.33 | kPa | 383.21 | Calculated Property |
| Pvap | 61.57 | kPa | 415.73 | Calculated Property |
| Pvap | 142.46 | kPa | 448.26 | Calculated Property |
| Pvap | 288.97 | kPa | 480.79 | Calculated Property |
| Pvap | 530.61 | kPa | 513.32 | Calculated Property |
| Pvap | 903.44 | kPa | 545.84 | Calculated Property |
| Pvap | 1452.56 | kPa | 578.37 | Calculated Property |
| Pvap | 2236.51 | kPa | 610.90 | Calculated Property |
Similar Compounds
Find more compounds similar to Heptane, 3-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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