- InChI
- InChI=1S/C6H14O/c1-3-4-5-6-7-2/h3-6H2,1-2H3
- InChI Key
- DBUJFULDVAZULB-UHFFFAOYSA-N
- Formula
- C6H14O
- SMILES
- CCCCCOC
- Molecular Weight1
- 102.17
- CAS
- 628-80-8
- Other Names
-
- 1-Methoxypentane
- Amyl methyl ether
- Ether, methyl pentyl
- Methyl amyl ether
- Methyl pentyl ether
- Pentyl methyl ether
- n-Amyl methyl ether
- n-C5H11OCH3
- 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (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).
- ρc : Critical density (kg/m3).
- ρl : Liquid Density (kg/m3).
- Inp : Non-polar retention indices.
- Ip : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- Zc : Critical Compressibility.
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.3470 | KDB | |
| ΔfG° | -105.36 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -282.32 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 12.48 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 36.91 | kJ/mol | NIST |
| IE | 9.67 | eV | NIST |
| log10WS | -1.49 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.823 | Crippen Calculated Property | |
| McVol | 101.270 | ml/mol | McGowan Calculated Property |
| Pc | [3042.00; 3042.00] | kPa |
|
| Pc | 3042.00 | kPa | IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 7 Compiled value |
| Pc | 3042.00 | kPa | KDB |
| Pc | 3042.00 ± 50.66 | kPa | NIST |
| ρc | 268.72 ± 4.09 | kg/m3 | NIST |
| Inp | [705.00; 722.10] |
|
|
| Inp | 705.00 | NIST | |
| Inp | 708.00 | NIST | |
| Inp | 722.10 | NIST | |
| Inp | 705.00 | NIST | |
| Inp | 708.00 | NIST | |
| Inp | 708.00 | NIST | |
| Inp | 722.10 | NIST | |
| Ip | [774.00; 774.00] |
|
|
| Ip | 774.00 | NIST | |
| Ip | 774.00 | NIST | |
| Tboil | [372.00; 372.70] | K |
|
| Tboil | 372.00 | K | KDB |
| Tboil | 372.70 | K | NIST |
| Tboil | 372.00 | K | NIST |
| Tc | [546.49; 546.53] | K |
|
| Tc | 546.50 | K | IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 7 Compiled value |
| Tc | 546.53 | K | KDB |
| Tc | 546.53 ± 1.00 | K | NIST |
| Tc | 546.49 ± 2.00 | K | NIST |
| Tfus | 181.54 | K | Relay (1.0) Calculated Property |
| Vc | [0.391; 0.392] | m3/kmol |
|
| Vc | 0.391 | m3/kmol | IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 7 Compiled value |
| Vc | 0.391 | m3/kmol | KDB |
| Vc | 0.392 ± 0.003 | m3/kmol | NIST |
| Zc | [0.2617490; 0.2620000] |
|
|
| Zc | 0.2620000 | IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 7 Compiled value | |
| Zc | 0.2617490 | KDB |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | 32.02 | kJ/mol | 372.00 | NIST |
| ρl | 750.00 | kg/m3 | 298.00 | KDB |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [148.17; 347.37] | 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 | 2.29340e+01 | |||
| Coefficient B | 5.10640e-01 | |||
| Coefficient C | -1.91600e-04 | |||
| Coefficient D | 5.40000e-09 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 148.17 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 179.85 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 209.10 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 235.94 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 260.39 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 282.47 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 302.19 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 319.57 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 334.62 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 347.37 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0035470; 0.0001864] | Pa×s | [179.61; 382.56] |
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 | -1.11953e+01 | |||
| Coefficient B | 9.97490e+02 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 179.61 | |||
| Temperature range, max. | 382.56 | |||
| η | 0.0035470 | Pa×s | 179.61 | Calculated Property |
| η | 0.0019091 | Pa×s | 202.16 | Calculated Property |
| η | 0.0011636 | Pa×s | 224.71 | Calculated Property |
| η | 0.0007762 | Pa×s | 247.26 | Calculated Property |
| η | 0.0005540 | Pa×s | 269.81 | Calculated Property |
| η | 0.0004166 | Pa×s | 292.36 | Calculated Property |
| η | 0.0003263 | Pa×s | 314.91 | Calculated Property |
| η | 0.0002640 | Pa×s | 337.46 | Calculated Property |
| η | 0.0002194 | Pa×s | 360.01 | Calculated Property |
| η | 0.0001864 | Pa×s | 382.56 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.66] | kPa | [278.00; 394.56] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.53730e+01 | |||
| Coefficient B | -3.52145e+03 | |||
| Coefficient C | -4.45660e+01 | |||
| Temperature range, min. | 278.00 | |||
| Temperature range, max. | 394.56 | |||
| Pvap | 1.33 | kPa | 278.00 | Calculated Property |
| Pvap | 2.95 | kPa | 290.95 | Calculated Property |
| Pvap | 6.02 | kPa | 303.90 | Calculated Property |
| Pvap | 11.47 | kPa | 316.85 | Calculated Property |
| Pvap | 20.64 | kPa | 329.80 | Calculated Property |
| Pvap | 35.29 | kPa | 342.76 | Calculated Property |
| Pvap | 57.69 | kPa | 355.71 | Calculated Property |
| Pvap | 90.69 | kPa | 368.66 | Calculated Property |
| Pvap | 137.68 | kPa | 381.61 | Calculated Property |
| Pvap | 202.66 | kPa | 394.56 | Calculated Property |
Similar Compounds
Find more compounds similar to Pentane, 1-methoxy-.
Sources
- IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 7 ChEDL chemicals 1.5.2, from Kudchadker, A. P.; Ambrose, D.; Tsonopoulos, C. Vapor-Liquid Critical Properties of Elements and Compounds. 7. Oxygen Compounds Other Than Alkanols and Cycloalkanols. J. Chem. Eng. Data 2001, 46, 457-479.
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- KDB
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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