- InChI
- InChI=1S/C10H22O/c1-3-5-6-7-8-9-10-11-4-2/h3-10H2,1-2H3
- InChI Key
- WJVJBXHEMGVIMM-UHFFFAOYSA-N
- Formula
- C10H22O
- SMILES
- CCCCCCCCOCC
- Molecular Weight1
- 158.28
- CAS
- 929-61-3
- Other Names
-
- 1-ethoxyoctane
- 3-oxaundecane
- ether, ethyl octyl
- ethyl octyl ether
- octyl ethyl ether
- 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.
- 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 | 0.5495 | Relay (1.0) Calculated Property | |
| ΔfG° | -71.68 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -382.88 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 22.84 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 55.89 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.32 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.77 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.383 | Crippen Calculated Property | |
| McVol | 157.630 | ml/mol | McGowan Calculated Property |
| Pc | 2075.54 | kPa | Joback Calculated Property |
| Inp | 1084.00 | NIST | |
| Tboil | 459.70 ± 0.80 | K | NIST |
| Tc | 626.84 | K | Relay (1.0) Calculated Property |
| Tfus | 222.20 ± 0.80 | K | NIST |
| Vc | 0.620 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [233.02; 553.74] | 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 | 1.92980e+01 | |||
| Coefficient B | 8.90640e-01 | |||
| Coefficient C | -4.09200e-04 | |||
| Coefficient D | 5.30000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 233.02 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 285.52 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 333.41 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 376.86 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 416.04 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 451.11 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 482.25 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 509.63 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 533.40 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 553.74 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0046569; 0.0002355] | Pa×s | [222.20; 429.45] |
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 | -1.15536e+01 | |||
| Coefficient B | 1.37413e+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. | 222.20 | |||
| Temperature range, max. | 429.45 | |||
| η | 0.0046569 | Pa×s | 222.20 | Calculated Property |
| η | 0.0026056 | Pa×s | 245.23 | Calculated Property |
| η | 0.0016106 | Pa×s | 268.25 | Calculated Property |
| η | 0.0010743 | Pa×s | 291.28 | Calculated Property |
| η | 0.0007604 | Pa×s | 314.31 | Calculated Property |
| η | 0.0005642 | Pa×s | 337.34 | Calculated Property |
| η | 0.0004349 | Pa×s | 360.36 | Calculated Property |
| η | 0.0003459 | Pa×s | 383.39 | Calculated Property |
| η | 0.0002823 | Pa×s | 406.42 | Calculated Property |
| η | 0.0002355 | Pa×s | 429.45 | Calculated Property |
Similar Compounds
Find more compounds similar to Octane, 1-ethoxy-.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Experimental Study of Chemical Equilibria in the Liquid-Phase Reaction between 1-Octanol and Ethanol to 1-Ethoxyoctane
- Joback Method
- McGowan Method
- NIST Webbook
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