- InChI
- InChI=1S/C9H20/c1-6-9(7(2)3)8(4)5/h7-9H,6H2,1-5H3
- InChI Key
- VLHAGZNBWKUMRW-UHFFFAOYSA-N
- Formula
- C9H20
- SMILES
- CCC(C(C)C)C(C)C
- Molecular Weight1
- 128.26
- CAS
- 1068-87-7
- Other Names
-
- 2,4-Dimethyl-3-ethylpentane
- 3-ETHYL-2,4-DIMETHYLPENTANE
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- 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).
- ΔfH°liquid : Liquid phase 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 |
|---|---|---|---|
| ΔcH°liquid | -6130.19 ± 0.75 | kJ/mol | NIST |
| ΔfG° | 17.58 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -227.40 | kJ/mol | NIST |
| ΔfH°liquid | -269.70 ± 0.92 | kJ/mol | NIST |
| ΔfusH° | 8.50 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 42.30 | kJ/mol | NIST |
| log10WS | -2.86 | Crippen Calculated Property | |
| logPoct/wat | 3.325 | Crippen Calculated Property | |
| McVol | 137.670 | ml/mol | McGowan Calculated Property |
| Pc | 2361.07 | kPa | Joback Calculated Property |
| Inp | [832.00; 842.00] |
|
|
| Inp | 838.00 | NIST | |
| Inp | Outlier 832.00 | NIST | |
| Inp | 836.10 | NIST | |
| Inp | 840.00 | NIST | |
| Inp | 838.20 | NIST | |
| Inp | 838.50 | NIST | |
| Inp | 838.00 | NIST | |
| Inp | 838.40 | NIST | |
| Inp | 836.00 | NIST | |
| Inp | 840.00 | NIST | |
| Inp | 838.00 | NIST | |
| Inp | 833.00 | NIST | |
| Inp | 836.00 | NIST | |
| Inp | 840.00 | NIST | |
| Inp | 833.00 | NIST | |
| Inp | 842.00 | NIST | |
| Inp | 833.00 | NIST | |
| Inp | 836.00 | NIST | |
| Inp | 836.00 | NIST | |
| Inp | 838.00 | NIST | |
| Inp | 838.00 | NIST | |
| Inp | 838.00 | NIST | |
| Inp | 838.50 | NIST | |
| Inp | 836.00 | NIST | |
| Tboil | [409.15; 409.87] | K |
|
| Tboil | 409.87 | K | KDB |
| Tboil | 409.81 ± 0.06 | K | NIST |
| Tboil | 409.15 ± 1.50 | K | NIST |
| Tboil | 409.75 ± 0.50 | K | NIST |
| Tboil | 409.86 ± 0.10 | K | NIST |
| Tc | 578.35 | K | Joback Calculated Property |
| Tfus | 150.75 | K | KDB |
| Vc | 0.521 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [272.44; 355.89] | J/mol×K | [404.00; 578.35] |
|
| Cp,gas | 272.44 | J/mol×K | 404.00 | Joback Calculated Property |
| Cp,gas | 287.79 | J/mol×K | 433.06 | Joback Calculated Property |
| Cp,gas | 302.55 | J/mol×K | 462.12 | Joback Calculated Property |
| Cp,gas | 316.72 | J/mol×K | 491.17 | Joback Calculated Property |
| Cp,gas | 330.33 | J/mol×K | 520.23 | Joback Calculated Property |
| Cp,gas | 343.38 | J/mol×K | 549.29 | Joback Calculated Property |
| Cp,gas | 355.89 | J/mol×K | 578.35 | Joback Calculated Property |
| η | [0.0002173; 0.0558851] | Pa×s | [146.19; 404.00] |
|
| η | 0.0558851 | Pa×s | 146.19 | Joback Calculated Property |
| η | 0.0077512 | Pa×s | 189.16 | Joback Calculated Property |
| η | 0.0022339 | Pa×s | 232.13 | Joback Calculated Property |
| η | 0.0009496 | Pa×s | 275.10 | Joback Calculated Property |
| η | 0.0005086 | Pa×s | 318.06 | Joback Calculated Property |
| η | 0.0003161 | Pa×s | 361.03 | Joback Calculated Property |
| η | 0.0002173 | Pa×s | 404.00 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [296.00; 438.11] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.44517e+01 | |||
| Coefficient B | -3.66215e+03 | |||
| Coefficient C | -3.74500e+01 | |||
| Temperature range, min. | 296.00 | |||
| Temperature range, max. | 438.11 | |||
| Pvap | 1.33 | kPa | 296.00 | Calculated Property |
| Pvap | 3.01 | kPa | 311.79 | Calculated Property |
| Pvap | 6.23 | kPa | 327.58 | Calculated Property |
| Pvap | 11.95 | kPa | 343.37 | Calculated Property |
| Pvap | 21.51 | kPa | 359.16 | Calculated Property |
| Pvap | 36.63 | kPa | 374.95 | Calculated Property |
| Pvap | 59.49 | kPa | 390.74 | Calculated Property |
| Pvap | 92.70 | kPa | 406.53 | Calculated Property |
| Pvap | 139.27 | kPa | 422.32 | Calculated Property |
| Pvap | 202.64 | kPa | 438.11 | Calculated Property |
| Pvap | [1.70e-08; 2443.14] | kPa | [150.79; 591.00] |
KDB Vap...
|
| Equation | ln(Pvp) = A + B/T + C*ln(T) + D*T^2 | |||
| Coefficient A | 6.56997e+01 | |||
| Coefficient B | -7.01190e+03 | |||
| Coefficient C | -7.41006e+00 | |||
| Coefficient D | 3.59437e-06 | |||
| Temperature range, min. | 150.79 | |||
| Temperature range, max. | 591.00 | |||
| Pvap | 1.70e-08 | kPa | 150.79 | Calculated Property |
| Pvap | 2.00e-04 | kPa | 199.70 | Calculated Property |
| Pvap | 0.04 | kPa | 248.61 | Calculated Property |
| Pvap | 1.28 | kPa | 297.53 | Calculated Property |
| Pvap | 12.93 | kPa | 346.44 | Calculated Property |
| Pvap | 67.70 | kPa | 395.35 | Calculated Property |
| Pvap | 233.01 | kPa | 444.26 | Calculated Property |
| Pvap | 606.25 | kPa | 493.18 | Calculated Property |
| Pvap | 1301.73 | kPa | 542.09 | Calculated Property |
| Pvap | 2443.14 | kPa | 591.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Pentane, 3-ethyl-2,4-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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