- 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.
- I : 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 (... Calculated Property | |
| ΔfG° | -96.94 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -305.83 | kJ/mol | Relay (... 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 (... 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 | |
| I | [924.00; 960.00] |
|
|
| I | 924.00 | NIST | |
| I | 941.00 | NIST | |
| I | 940.00 | NIST | |
| I | 960.00 | NIST | |
| Tboil | 399.20 | K | NIST |
| Tc | 563.14 | K | Relay (... Calculated Property |
| Tfus | 199.28 | K | Relay (... Calculated Property |
| Vc | 0.436 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [218.44; 282.30] | J/mol×K | [381.98; 546.34] |
|
| Cp,gas | 218.44 | J/mol×K | 381.98 | Joback Calculated Property |
| Cp,gas | 229.92 | J/mol×K | 409.37 | Joback Calculated Property |
| Cp,gas | 241.06 | J/mol×K | 436.77 | Joback Calculated Property |
| Cp,gas | 251.87 | J/mol×K | 464.16 | Joback Calculated Property |
| Cp,gas | 262.35 | J/mol×K | 491.56 | Joback Calculated Property |
| Cp,gas | 272.49 | J/mol×K | 518.95 | Joback Calculated Property |
| Cp,gas | 282.30 | J/mol×K | 546.34 | Joback Calculated Property |
| η | [0.0002231; 0.0039006] | Pa×s | [190.88; 381.98] |
|
| η | 0.0039006 | Pa×s | 190.88 | Joback Calculated Property |
| η | 0.0017217 | Pa×s | 222.73 | Joback Calculated Property |
| η | 0.0009325 | Pa×s | 254.58 | Joback Calculated Property |
| η | 0.0005789 | Pa×s | 286.43 | Joback Calculated Property |
| η | 0.0003953 | Pa×s | 318.28 | Joback Calculated Property |
| η | 0.0002894 | Pa×s | 350.13 | Joback Calculated Property |
| η | 0.0002231 | Pa×s | 381.98 | Joback Calculated Property |
| ΔvapH | 34.93 | kJ/mol | 399.20 | NIST |
Similar Compounds
Find more compounds similar to Hexane, 1-methoxy-.
Sources
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