- InChI
- InChI=1S/C16H34O/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3-16H2,1-2H3
- InChI Key
- NKJOXAZJBOMXID-UHFFFAOYSA-N
- Formula
- C16H34O
- SMILES
- CCCCCCCCOCCCCCCCC
- Molecular Weight1
- 242.44
- CAS
- 629-82-3
- Other Names
-
- 1,1'-oxybisoctane
- 1-(Octyloxy)octane
- DIOCTYLETHER
- Dicaprylyl ether
- Ether, di-n-octyl-
- NSC 28948
- antar
- bis(1-octyl) ether
- caprylic ether
- cetiol OE
- di-n-octyl ether
- dioctyl ether
- n-octyl ether
- octyl 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).
- Pvap : Vapor 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 | 0.7801 | Relay (1.0) Calculated Property | |
| ΔfG° | -21.16 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -503.72 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 38.38 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 78.45 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.37 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.28 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.724 | Crippen Calculated Property | |
| McVol | 242.170 | ml/mol | McGowan Calculated Property |
| Pc | 1302.35 | kPa | Joback Calculated Property |
| Inp | [1657.00; 1660.00] |
|
|
| Inp | 1657.00 | NIST | |
| Inp | 1660.00 | NIST | |
| Inp | 1657.00 | NIST | |
| Ip | [1760.00; 1763.00] |
|
|
| Ip | 1761.00 | NIST | |
| Ip | 1760.00 | NIST | |
| Ip | 1763.00 | NIST | |
| Ip | 1761.00 | NIST | |
| Ip | 1763.00 | NIST | |
| Tboil | [559.70; 559.70] | K |
|
| Tboil | 559.70 | K | NIST |
| Tboil | 559.70 ± 1.50 | K | NIST |
| Tc | [723.00; 727.00] | K |
|
| Tc | 723.00 | K | Critical properties of some aliphatic symmetrical ethers |
| Tc | 727.00 | K | DIPPR Project 851 - Thirty Years of Vapor-Liquid Critical Point Measurements and Experimental Technique Development |
| Tfus | [265.55; 265.60] | K |
|
| Tfus | 265.55 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Tfus | 265.60 ± 1.00 | K | NIST |
| Vc | 0.960 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [360.31; 863.28] | 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 | 1.38440e+01 | |||
| Coefficient B | 1.46064e+00 | |||
| Coefficient C | -7.35600e-04 | |||
| Coefficient D | 1.24400e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 360.31 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 444.03 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 519.87 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 588.23 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 649.50 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 704.08 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 752.35 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 794.71 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 831.56 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 863.28 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0066063; 0.0002034] | Pa×s | [265.58; 507.50] |
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 | -1.23212e+01 | |||
| Coefficient B | 1.93909e+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. | 265.58 | |||
| Temperature range, max. | 507.50 | |||
| η | 0.0066063 | Pa×s | 265.58 | Calculated Property |
| η | 0.0033767 | Pa×s | 292.46 | Calculated Property |
| η | 0.0019325 | Pa×s | 319.34 | Calculated Property |
| η | 0.0012060 | Pa×s | 346.22 | Calculated Property |
| η | 0.0008056 | Pa×s | 373.10 | Calculated Property |
| η | 0.0005681 | Pa×s | 399.98 | Calculated Property |
| η | 0.0004186 | Pa×s | 426.86 | Calculated Property |
| η | 0.0003199 | Pa×s | 453.74 | Calculated Property |
| η | 0.0002519 | Pa×s | 480.62 | Calculated Property |
| η | 0.0002034 | Pa×s | 507.50 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.66] | kPa | [428.12; 591.12] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.55254e+01 | |||
| Coefficient B | -5.04961e+03 | |||
| Coefficient C | -9.67330e+01 | |||
| Temperature range, min. | 428.12 | |||
| Temperature range, max. | 591.12 | |||
| Pvap | 1.33 | kPa | 428.12 | Calculated Property |
| Pvap | 2.94 | kPa | 446.23 | Calculated Property |
| Pvap | 5.98 | kPa | 464.34 | Calculated Property |
| Pvap | 11.40 | kPa | 482.45 | Calculated Property |
| Pvap | 20.51 | kPa | 500.56 | Calculated Property |
| Pvap | 35.09 | kPa | 518.68 | Calculated Property |
| Pvap | 57.42 | kPa | 536.79 | Calculated Property |
| Pvap | 90.38 | kPa | 554.90 | Calculated Property |
| Pvap | 137.43 | kPa | 573.01 | Calculated Property |
| Pvap | 202.66 | kPa | 591.12 | Calculated Property |
| Pvap | [7.77e-07; 1443.47] | kPa | [265.55; 707.00] |
KDB Vapor Pressure Data
|
| Equation | ln(Y) = A + B/T + C·ln(T) + D·T² + E/T² Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.98579e+02 | |||
| Coefficient B | -1.79056e+04 | |||
| Coefficient C | -2.61592e+01 | |||
| Coefficient D | 1.13104e-05 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 265.55 | |||
| Temperature range, max. | 707.00 | |||
| Pvap | 7.77e-07 | kPa | 265.55 | Calculated Property |
| Pvap | 4.68e-04 | kPa | 314.60 | Calculated Property |
| Pvap | 0.03 | kPa | 363.65 | Calculated Property |
| Pvap | 0.65 | kPa | 412.70 | Calculated Property |
| Pvap | 5.61 | kPa | 461.75 | Calculated Property |
| Pvap | 28.43 | kPa | 510.80 | Calculated Property |
| Pvap | 100.91 | kPa | 559.85 | Calculated Property |
| Pvap | 282.03 | kPa | 608.90 | Calculated Property |
| Pvap | 672.09 | kPa | 657.95 | Calculated Property |
| Pvap | 1443.47 | kPa | 707.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Octane, 1,1'-oxybis-.
Sources
- KDB Vapor Pressure Data
- Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Critical properties of some aliphatic symmetrical ethers
- DIPPR Project 851 - Thirty Years of Vapor-Liquid Critical Point Measurements and Experimental Technique Development
- Chemical Equilibrium of the Liquid-Phase Dehydration of 1-Octanol to 1-(Octyloxy)octane
- Joback Method
- KDB
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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