- InChI
- InChI=1S/C9H20O/c1-3-4-5-6-7-8-9-10-2/h3-9H2,1-2H3
- InChI Key
- RIAWWRJHTAZJSU-UHFFFAOYSA-N
- Formula
- C9H20O
- SMILES
- CCCCCCCCOC
- Molecular Weight1
- 144.26
- Other Names
-
- n-Octyl methyl ether
- Ether, methyl octyl
- Octyl methyl ether
- Methyl octyl ether
- 1-Methoxyoctane
- 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).
- 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 | 0.5065 | Relay (1.0) Calculated Property | |
| ΔfG° | -80.10 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -348.62 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 20.25 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 51.69 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.41 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.38 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.993 | Crippen Calculated Property | |
| McVol | 143.540 | ml/mol | McGowan Calculated Property |
| Pc | 2269.73 | kPa | Joback Calculated Property |
| Inp | [1008.00; 1029.50] |
|
|
| Inp | 1008.00 | NIST | |
| Inp | 1026.30 | NIST | |
| Inp | 1029.50 | NIST | |
| Inp | 1024.00 | NIST | |
| Inp | 1016.00 | NIST | |
| Inp | 1026.30 | NIST | |
| Inp | 1016.00 | NIST | |
| Ip | [1132.00; 1152.00] |
|
|
| Ip | 1132.00 | NIST | |
| Ip | 1152.00 | NIST | |
| Tboil | 445.20 ± 0.80 | K | NIST |
| Tc | 614.49 | K | Relay (1.0) Calculated Property |
| Tfus | [216.70; 220.70] | K |
|
| Tfus | 220.70 ± 0.80 | K | NIST |
| Tfus | 216.70 ± 0.50 | K | NIST |
| Vc | 0.561 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [211.81; 502.15] | 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 | 2.02070e+01 | |||
| Coefficient B | 7.95640e-01 | |||
| Coefficient C | -3.54800e-04 | |||
| Coefficient D | 4.11000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 211.81 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 259.10 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 302.33 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 341.63 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 377.13 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 408.95 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 437.24 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 462.11 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 483.70 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 502.15 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0037173; 0.0002351] | Pa×s | [218.70; 413.95] |
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 | -1.14474e+01 | |||
| Coefficient B | 1.27997e+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. | 218.70 | |||
| Temperature range, max. | 413.95 | |||
| η | 0.0037173 | Pa×s | 218.70 | Calculated Property |
| η | 0.0021920 | Pa×s | 240.39 | Calculated Property |
| η | 0.0014107 | Pa×s | 262.09 | Calculated Property |
| η | 0.0009712 | Pa×s | 283.78 | Calculated Property |
| η | 0.0007050 | Pa×s | 305.48 | Calculated Property |
| η | 0.0005340 | Pa×s | 327.17 | Calculated Property |
| η | 0.0004187 | Pa×s | 348.87 | Calculated Property |
| η | 0.0003377 | Pa×s | 370.56 | Calculated Property |
| η | 0.0002790 | Pa×s | 392.25 | Calculated Property |
| η | 0.0002351 | Pa×s | 413.95 | Calculated Property |
Similar Compounds
Find more compounds similar to OCTANE, 1-METHOXY-.
Sources
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