- InChI
- InChI=1S/C9H20/c1-6-9(5,7-2)8(3)4/h8H,6-7H2,1-5H3
- InChI Key
- MMASVVOQIKCFJZ-UHFFFAOYSA-N
- Formula
- C9H20
- SMILES
- CCC(C)(CC)C(C)C
- Molecular Weight1
- 128.26
- CAS
- 16747-33-4
- Other Names
-
- 2,3-Dimethyl-3-ethylpentane
- 3-ETHYL-2,3-DIMETHYLPENTANE
- 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° | 25.30 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -243.12 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 8.13 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 42.70 | kJ/mol | NIST |
| log10WS | -3.11 | Crippen Calculated Property | |
| logPoct/wat | 3.469 | Crippen Calculated Property | |
| McVol | 137.670 | ml/mol | McGowan Calculated Property |
| Pc | 2367.97 | kPa | Joback Calculated Property |
| Inp | [866.00; 878.00] |
|
|
| Inp | 875.00 | NIST | |
| Inp | Outlier 866.00 | NIST | |
| Inp | 871.80 | NIST | |
| Inp | 876.10 | NIST | |
| Inp | 875.00 | NIST | |
| Inp | 875.00 | NIST | |
| Inp | 870.00 | NIST | |
| Inp | 872.00 | NIST | |
| Inp | 878.00 | NIST | |
| Inp | 872.00 | NIST | |
| Inp | 875.00 | NIST | |
| Inp | 875.00 | NIST | |
| Inp | 875.00 | NIST | |
| Inp | 872.00 | NIST | |
| Tboil | 414.75 ± 0.50 | K | NIST |
| Tc | 579.13 | K | Joback Calculated Property |
| Tfus | 178.61 | K | Joback Calculated Property |
| Vc | 0.522 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [273.89; 359.82] | J/mol×K | [401.65; 579.13] |
|
| Cp,gas | 273.89 | J/mol×K | 401.65 | Joback Calculated Property |
| Cp,gas | 289.98 | J/mol×K | 431.23 | Joback Calculated Property |
| Cp,gas | 305.33 | J/mol×K | 460.81 | Joback Calculated Property |
| Cp,gas | 319.96 | J/mol×K | 490.39 | Joback Calculated Property |
| Cp,gas | 333.90 | J/mol×K | 519.97 | Joback Calculated Property |
| Cp,gas | 347.18 | J/mol×K | 549.55 | Joback Calculated Property |
| Cp,gas | 359.82 | J/mol×K | 579.13 | Joback Calculated Property |
| η | [0.0002558; 0.0222427] | Pa×s | [178.61; 401.65] |
|
| η | 0.0222427 | Pa×s | 178.61 | Joback Calculated Property |
| η | 0.0055664 | Pa×s | 215.78 | Joback Calculated Property |
| η | 0.0020930 | Pa×s | 252.96 | Joback Calculated Property |
| η | 0.0010112 | Pa×s | 290.13 | Joback Calculated Property |
| η | 0.0005763 | Pa×s | 327.30 | Joback Calculated Property |
| η | 0.0003684 | Pa×s | 364.48 | Joback Calculated Property |
| η | 0.0002558 | Pa×s | 401.65 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.65] | kPa | [302.79; 446.46] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.43986e+01 | |||
| Coefficient B | -3.66695e+03 | |||
| Coefficient C | -4.29250e+01 | |||
| Temperature range, min. | 302.79 | |||
| Temperature range, max. | 446.46 | |||
| Pvap | 1.33 | kPa | 302.79 | Calculated Property |
| Pvap | 3.02 | kPa | 318.75 | Calculated Property |
| Pvap | 6.24 | kPa | 334.72 | Calculated Property |
| Pvap | 11.98 | kPa | 350.68 | Calculated Property |
| Pvap | 21.56 | kPa | 366.64 | Calculated Property |
| Pvap | 36.72 | kPa | 382.61 | Calculated Property |
| Pvap | 59.61 | kPa | 398.57 | Calculated Property |
| Pvap | 92.83 | kPa | 414.53 | Calculated Property |
| Pvap | 139.38 | kPa | 430.50 | Calculated Property |
| Pvap | 202.65 | kPa | 446.46 | Calculated Property |
| Pvap | [1.37; 2704.84] | kPa | [303.15; 606.80] |
KDB Vap...
|
| Equation | ln(Pvp) = A + B/T + C*ln(T) + D*T^2 | |||
| Coefficient A | 8.28457e+01 | |||
| Coefficient B | -7.71705e+03 | |||
| Coefficient C | -1.00964e+01 | |||
| Coefficient D | 6.72051e-06 | |||
| Temperature range, min. | 303.15 | |||
| Temperature range, max. | 606.80 | |||
| Pvap | 1.37 | kPa | 303.15 | Calculated Property |
| Pvap | 6.98 | kPa | 336.89 | Calculated Property |
| Pvap | 25.15 | kPa | 370.63 | Calculated Property |
| Pvap | 70.70 | kPa | 404.37 | Calculated Property |
| Pvap | 165.67 | kPa | 438.11 | Calculated Property |
| Pvap | 339.27 | kPa | 471.84 | Calculated Property |
| Pvap | 628.00 | kPa | 505.58 | Calculated Property |
| Pvap | 1077.18 | kPa | 539.32 | Calculated Property |
| Pvap | 1744.30 | kPa | 573.06 | Calculated Property |
| Pvap | 2704.84 | kPa | 606.80 | Calculated Property |
Similar Compounds
Find more compounds similar to Pentane, 3-ethyl-2,3-dimethyl-.
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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that the value is more than 2 standard deviations away from the
property mean.