- InChI
- InChI=1S/C6H14O/c1-4-5-6(2)7-3/h6H,4-5H2,1-3H3
- InChI Key
- XSAJCGUYMQTAHL-UHFFFAOYSA-N
- Formula
- C6H14O
- SMILES
- CCCC(C)OC
- Molecular Weight1
- 102.18
- CAS
- 6795-88-6
- Other Names
-
- DL-2-Pentanol, methyl ether
- Ether, methyl 1-methylbutyl
- Methyl 1-methylbutyl ether
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.3266 | Relay (1.0) Calculated Property | |
| ΔfG° | -107.80 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -288.67 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 8.96 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 35.36 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.39 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.91 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.821 | Crippen Calculated Property | |
| McVol | 101.270 | ml/mol | McGowan Calculated Property |
| Pc | 3076.16 | kPa | Joback Calculated Property |
| Inp | [691.10; 691.10] |
|
|
| Inp | 691.10 | NIST | |
| Inp | 691.10 | NIST | |
| Tboil | 365.00 ± 3.00 | K | NIST |
| Tc | 528.57 | K | Relay (1.0) Calculated Property |
| Tfus | 158.65 | K | Relay (1.0) Calculated Property |
| Vc | 0.377 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [147.85; 347.91] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 2.12520e+01 | |||
| Coefficient B | 5.16560e-01 | |||
| Coefficient C | -1.94800e-04 | |||
| Coefficient D | 4.90000e-09 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 147.85 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 179.84 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 209.34 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 236.39 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 261.00 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 283.17 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 302.94 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 320.30 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 335.29 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 347.91 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0064749; 0.0001985] | Pa×s | [164.61; 369.14] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.13293e+01 | |||
| Coefficient B | 1.03531e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 164.61 | |||
| Temperature range, max. | 369.14 | |||
| η | 0.0064749 | Pa×s | 164.61 | Calculated Property |
| η | 0.0030191 | Pa×s | 187.34 | Calculated Property |
| η | 0.0016604 | Pa×s | 210.06 | Calculated Property |
| η | 0.0010262 | Pa×s | 232.79 | Calculated Property |
| η | 0.0006910 | Pa×s | 255.51 | Calculated Property |
| η | 0.0004963 | Pa×s | 278.24 | Calculated Property |
| η | 0.0003747 | Pa×s | 300.97 | Calculated Property |
| η | 0.0002943 | Pa×s | 323.69 | Calculated Property |
| η | 0.0002386 | Pa×s | 346.42 | Calculated Property |
| η | 0.0001985 | Pa×s | 369.14 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.62] | kPa | [271.72; 387.46] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.52658e+01 | |||
| Coefficient B | -3.43504e+03 | |||
| Coefficient C | -4.23840e+01 | |||
| Temperature range, min. | 271.72 | |||
| Temperature range, max. | 387.46 | |||
| Pvap | 1.33 | kPa | 271.72 | Calculated Property |
| Pvap | 2.95 | kPa | 284.58 | Calculated Property |
| Pvap | 6.04 | kPa | 297.44 | Calculated Property |
| Pvap | 11.52 | kPa | 310.30 | Calculated Property |
| Pvap | 20.73 | kPa | 323.16 | Calculated Property |
| Pvap | 35.43 | kPa | 336.02 | Calculated Property |
| Pvap | 57.88 | kPa | 348.88 | Calculated Property |
| Pvap | 90.89 | kPa | 361.74 | Calculated Property |
| Pvap | 137.83 | kPa | 374.60 | Calculated Property |
| Pvap | 202.62 | kPa | 387.46 | Calculated Property |
Similar Compounds
Find more compounds similar to Pentane, 2-methoxy-.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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