- InChI
- InChI=1S/C6H14O2/c1-7-5-3-4-6-8-2/h3-6H2,1-2H3
- InChI Key
- HMCUNLUHTBHKTB-UHFFFAOYSA-N
- Formula
- C6H14O2
- SMILES
- COCCCCOC
- Molecular Weight1
- 118.18
- Other Names
-
- 1,4-Dimethoxybutane
- CH3O(CH2)4OCH3
- ω : Acentric Factor.
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (kJ/mol).
- 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).
- 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 | 0.4492 | Relay (1.0) Calculated Property | |
| PAff | 931.50 | kJ/mol | NIST |
| BasG | 880.60 | kJ/mol | NIST |
| ΔfG° | -210.36 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -403.50 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 13.67 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 44.56 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.32 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.54 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.059 | Crippen Calculated Property | |
| McVol | 107.140 | ml/mol | McGowan Calculated Property |
| Pc | 2992.59 | kPa | Joback Calculated Property |
| Inp | [806.60; 855.00] |
|
|
| Inp | 855.00 | NIST | |
| Inp | 806.60 | NIST | |
| Inp | 807.70 | NIST | |
| Inp | 806.60 | NIST | |
| Tboil | 411.99 | K | Relay (1.0) Calculated Property |
| Tc | 578.45 | K | Relay (1.0) Calculated Property |
| Tfus | 211.75 | K | Relay (1.0) Calculated Property |
| Vc | 0.404 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [163.57; 365.87] | 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 | 4.84340e+01 | |||
| Coefficient B | 4.47440e-01 | |||
| Coefficient C | -8.06000e-05 | |||
| Coefficient D | -4.94000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 163.57 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 194.45 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 223.60 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 250.85 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 276.05 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 299.05 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 319.69 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 337.81 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 353.26 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 365.87 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0027699; 0.0002010] | Pa×s | [201.84; 382.97] |
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 | -1.14358e+01 | |||
| Coefficient B | 1.11958e+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. | 201.84 | |||
| Temperature range, max. | 382.97 | |||
| η | 0.0027699 | Pa×s | 201.84 | Calculated Property |
| η | 0.0016751 | Pa×s | 221.97 | Calculated Property |
| η | 0.0011014 | Pa×s | 242.09 | Calculated Property |
| η | 0.0007723 | Pa×s | 262.22 | Calculated Property |
| η | 0.0005696 | Pa×s | 282.34 | Calculated Property |
| η | 0.0004375 | Pa×s | 302.47 | Calculated Property |
| η | 0.0003473 | Pa×s | 322.59 | Calculated Property |
| η | 0.0002833 | Pa×s | 342.72 | Calculated Property |
| η | 0.0002363 | Pa×s | 362.85 | Calculated Property |
| η | 0.0002010 | Pa×s | 382.97 | Calculated Property |
Similar Compounds
Find more compounds similar to Butane, 1,4-dimethoxy-.
Sources
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