- InChI
- InChI=1S/C7H16O/c1-4-6-7(5-2)8-3/h7H,4-6H2,1-3H3
- InChI Key
- QNJRNZBXNCPKHQ-UHFFFAOYSA-N
- Formula
- C7H16O
- SMILES
- CCCC(CC)OC
- Molecular Weight1
- 116.20
- CAS
- 54658-01-4
- 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).
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -99.38 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -325.31 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 11.55 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 33.20 | kJ/mol | Joback Calculated Property |
| log10WS | -1.95 | Crippen Calculated Property | |
| logPoct/wat | 2.212 | Crippen Calculated Property | |
| McVol | 115.360 | ml/mol | McGowan Calculated Property |
| Pc | 2773.00 | kPa | Joback Calculated Property |
| Tboil | 381.54 | K | Joback Calculated Property |
| Tc | 549.69 | K | Joback Calculated Property |
| Tfus | 175.88 | K | Joback Calculated Property |
| Vc | 0.440 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [218.33; 284.00] | J/mol×K | [381.54; 549.69] | 
|
| Cp,gas | 218.33 | J/mol×K | 381.54 | Joback Calculated Property |
| Cp,gas | 230.17 | J/mol×K | 409.57 | Joback Calculated Property |
| Cp,gas | 241.65 | J/mol×K | 437.59 | Joback Calculated Property |
| Cp,gas | 252.77 | J/mol×K | 465.62 | Joback Calculated Property |
| Cp,gas | 263.53 | J/mol×K | 493.64 | Joback Calculated Property |
| Cp,gas | 273.94 | J/mol×K | 521.67 | Joback Calculated Property |
| Cp,gas | 284.00 | J/mol×K | 549.69 | Joback Calculated Property |
| η | [0.0002162; 0.0068890] | Pa×s | [175.88; 381.54] |
|
| η | 0.0068890 | Pa×s | 175.88 | Joback Calculated Property |
| η | 0.0024170 | Pa×s | 210.16 | Joback Calculated Property |
| η | 0.0011375 | Pa×s | 244.43 | Joback Calculated Property |
| η | 0.0006444 | Pa×s | 278.71 | Joback Calculated Property |
| η | 0.0004135 | Pa×s | 312.99 | Joback Calculated Property |
| η | 0.0002896 | Pa×s | 347.26 | Joback Calculated Property |
| η | 0.0002162 | Pa×s | 381.54 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Hexane, 3-methoxy-.
Sources
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