- InChI
- InChI=1S/C10H22/c1-5-8-9-10(4,6-2)7-3/h5-9H2,1-4H3
- InChI Key
- HSOMNBKXPGCNBH-UHFFFAOYSA-N
- Formula
- C10H22
- SMILES
- CCCCC(C)(CC)CC
- Molecular Weight1
- 142.28
- CAS
- 17302-01-1
- Other Names
-
- 3-Methyl-3-ethylheptane
- Heptane, 3-ethyl-3-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° | 36.16 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -258.48 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 14.24 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 47.70 | kJ/mol | NIST |
| log10WS | -3.77 | Crippen 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 | [940.00; 953.00] |
|
|
| Inp | 947.80 | NIST | |
| Inp | 947.50 | NIST | |
| Inp | 953.00 | NIST | |
| Inp | 952.60 | NIST | |
| Inp | 953.00 | NIST | |
| Inp | 940.00 | NIST | |
| Inp | 940.00 | NIST | |
| Inp | 953.00 | NIST | |
| Inp | 947.80 | NIST | |
| Tboil | [436.95; 437.05] | K |
|
| Tboil | 437.05 ± 0.40 | K | NIST |
| Tboil | 436.95 ± 0.40 | K | NIST |
| Tc | 597.50 | K | Joback Calculated Property |
| Tfus | 204.88 | K | Joback Calculated Property |
| Vc | 0.585 | m3/kmol | Joback 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 | [319.11; 466.46] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.42220e+01 | |||
| Coefficient B | -3.64149e+03 | |||
| Coefficient C | -5.77840e+01 | |||
| Temperature range, min. | 319.11 | |||
| Temperature range, max. | 466.46 | |||
| Pvap | 1.33 | kPa | 319.11 | Calculated Property |
| Pvap | 3.03 | kPa | 335.48 | Calculated Property |
| Pvap | 6.29 | kPa | 351.85 | Calculated Property |
| Pvap | 12.09 | kPa | 368.23 | Calculated Property |
| Pvap | 21.75 | kPa | 384.60 | Calculated Property |
| Pvap | 37.01 | kPa | 400.97 | Calculated Property |
| Pvap | 60.00 | kPa | 417.34 | Calculated Property |
| Pvap | 93.27 | kPa | 433.72 | Calculated Property |
| Pvap | 139.73 | kPa | 450.09 | Calculated Property |
| Pvap | 202.67 | kPa | 466.46 | Calculated Property |
| Pvap | [1.34; 2314.47] | kPa | [319.15; 620.00] |
KDB Vap...
|
| Equation | ln(Pvp) = A + B/T + C*ln(T) + D*T^2 | |||
| Coefficient A | 9.64865e+01 | |||
| Coefficient B | -8.85162e+03 | |||
| Coefficient C | -1.19968e+01 | |||
| Coefficient D | 6.95511e-06 | |||
| Temperature range, min. | 319.15 | |||
| Temperature range, max. | 620.00 | |||
| Pvap | 1.34 | kPa | 319.15 | Calculated Property |
| Pvap | 6.56 | kPa | 352.58 | Calculated Property |
| Pvap | 23.11 | kPa | 386.01 | Calculated Property |
| Pvap | 63.98 | kPa | 419.43 | Calculated Property |
| Pvap | 148.29 | kPa | 452.86 | Calculated Property |
| Pvap | 300.89 | kPa | 486.29 | Calculated Property |
| Pvap | 552.17 | kPa | 519.72 | Calculated Property |
| Pvap | 938.91 | kPa | 553.14 | Calculated Property |
| Pvap | 1506.75 | kPa | 586.57 | Calculated Property |
| Pvap | 2314.47 | kPa | 620.00 | Calculated Property |
Similar Compounds
Find more compounds similar to 3-Ethyl-3-methylheptane.
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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