- InChI
- InChI=1S/C7H16O/c1-3-4-5-6-7-8-2/h3-7H2,1-2H3
- InChI Key
- ICBJCVRQDSQPGI-UHFFFAOYSA-N
- Formula
- C7H16O
- SMILES
- CCCCCCOC
- Molecular Weight1
- 116.20
- CAS
- 4747-07-3
- Other Names
-
- Ether, hexyl methyl
- Hexyl methyl ether
- Methyl hexyl ether
- 1-Methoxyhexane
- 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).
- 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).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.4180 | Relay (1.0) Calculated Property | |
| ΔfG° | -96.94 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -305.83 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 15.07 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 42.10 | kJ/mol | NIST |
| IE | 9.48 | eV | NIST |
| log10WS | -2.13 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.213 | Crippen Calculated Property | |
| McVol | 115.360 | ml/mol | McGowan Calculated Property |
| Pc | 2749.78 | kPa | Joback Calculated Property |
| Inp | [808.00; 832.00] |
|
|
| Inp | 808.00 | NIST | |
| Inp | 822.80 | NIST | |
| Inp | 823.00 | NIST | |
| Inp | 832.00 | NIST | |
| Inp | 832.00 | NIST | |
| Inp | 816.00 | NIST | |
| Inp | 818.00 | NIST | |
| Inp | 824.00 | NIST | |
| Ip | [924.00; 960.00] |
|
|
| Ip | 924.00 | NIST | |
| Ip | 941.00 | NIST | |
| Ip | 940.00 | NIST | |
| Ip | 960.00 | NIST | |
| Ip | 924.00 | NIST | |
| Tboil | 399.20 | K | NIST |
| Tc | 570.52 | K | Relay (1.0) Calculated Property |
| Tfus | 198.72 | K | Relay (1.0) Calculated Property |
| Vc | 0.443 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | 34.93 | kJ/mol | 399.20 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [169.38; 398.96] | 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 | 2.20250e+01 | |||
| Coefficient B | 6.05640e-01 | |||
| Coefficient C | -2.46000e-04 | |||
| Coefficient D | 1.73000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 169.38 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 206.26 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 240.17 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 271.17 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 299.30 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 324.63 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 347.20 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 367.08 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 384.32 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 398.96 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0039006; 0.0002220] | Pa×s | [190.88; 382.64] |
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 | -1.12657e+01 | |||
| Coefficient B | 1.09165e+03 | |||
| 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. | 190.88 | |||
| Temperature range, max. | 382.64 | |||
| η | 0.0039006 | Pa×s | 190.88 | Calculated Property |
| η | 0.0021965 | Pa×s | 212.19 | Calculated Property |
| η | 0.0013735 | Pa×s | 233.49 | Calculated Property |
| η | 0.0009291 | Pa×s | 254.80 | Calculated Property |
| η | 0.0006675 | Pa×s | 276.11 | Calculated Property |
| η | 0.0005029 | Pa×s | 297.41 | Calculated Property |
| η | 0.0003935 | Pa×s | 318.72 | Calculated Property |
| η | 0.0003175 | Pa×s | 340.03 | Calculated Property |
| η | 0.0002627 | Pa×s | 361.33 | Calculated Property |
| η | 0.0002220 | Pa×s | 382.64 | Calculated Property |
Similar Compounds
Find more compounds similar to Hexane, 1-methoxy-.
Sources
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