- InChI
- InChI=1S/C12H26O/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3-12H2,1-2H3
- InChI Key
- BPIUIOXAFBGMNB-UHFFFAOYSA-N
- Formula
- C12H26O
- SMILES
- CCCCCCOCCCCCC
- Molecular Weight1
- 186.33
- CAS
- 112-58-3
- Other Names
-
- 1-(Hexyloxy)hexane
- 7-oxatridecane
- Bis(1-hexyl)ether
- DIHEXYLETHER
- Di-n-hexyl ether
- Hexyl ether
- dihexyl ether
- ether, dihexyl
- n-Hexyl ether
- ω : Acentric Factor.
- Tig : Autoignition Temperature (K).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- Tflash,cc : Flash Point (Closed Cup Method) (K).
- 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (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).
- NFPA Fire : NFPA Fire Rating.
- NFPA Health : NFPA Health Rating.
- NFPA Safety : NFPA Safety Rating.
- Pc : Critical Pressure (kPa).
- Pvap : Vapor pressure (kPa).
- n0 : Refractive Index.
- ρl : Liquid Density (kg/m3).
- 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).
- Zc : Critical Compressibility.
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.7000 | KDB | |
| Tig | 458.15 | K | NCMS SOLV-DB |
| Tflash,cc | 350.15 | K | NCMS SOLV-DB |
| ΔfG° | -54.84 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -421.10 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 28.02 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [63.50; 64.10] | kJ/mol |
|
| ΔvapH° | 64.10 | kJ/mol | NIST |
| ΔvapH° | 63.60 ± 0.80 | kJ/mol | NIST |
| ΔvapH° | 63.50 | kJ/mol | NIST |
| ΔvapH° | 64.10 ± 0.10 | kJ/mol | NIST |
| IE | 9.34 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.66 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.102 | NCMS SOLV-DB | |
| McVol | 185.810 | ml/mol | McGowan Calculated Property |
| NFPA Fire | 2 | NCMS SOLV-DB | |
| NFPA Health | 2 | NCMS SOLV-DB | |
| NFPA Safety | 0 | NCMS SOLV-DB | |
| Pc | 1820.00 | kPa | KDB |
| Inp | [1228.00; 1287.00] |
|
|
| Inp | 1264.00 | NIST | |
| Inp | Outlier 1228.00 | NIST | |
| Inp | 1265.00 | NIST | |
| Inp | 1269.00 | NIST | |
| Inp | 1265.00 | NIST | |
| Inp | 1269.00 | NIST | |
| Inp | 1287.00 | NIST | |
| Inp | 1264.00 | NIST | |
| Ip | [1349.00; 1368.00] |
|
|
| Ip | 1367.00 | NIST | |
| Ip | 1368.00 | NIST | |
| Ip | 1349.00 | NIST | |
| Ip | 1359.00 | NIST | |
| Ip | 1368.00 | NIST | |
| Tboil | [499.60; 501.70] | K |
|
| Tboil | 499.60 | K | KDB |
| Tboil | 501.15 | K | NCMS SOLV-DB |
| Tboil | 501.70 | K | NIST |
| Tc | [657.00; 665.00] | K |
|
| Tc | 665.00 | K | Critical properties of some aliphatic symmetrical ethers |
| Tc | 663.00 | K | DIPPR Project 851 - Thirty Years of Vapor-Liquid Critical Point Measurements and Experimental Technique Development |
| Tc | 657.00 | K | KDB |
| Tfus | 230.00 | K | KDB |
| Vc | 0.720 | m3/kmol | KDB |
| Zc | 0.2398840 | KDB |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | 52.90 | kJ/mol | 441.00 | NIST |
| Pvap | 6.15e-03 | kPa | 298.15 | NCMS SOLV-DB |
| n0 | 1.40200 | 298.15 | NCMS SOLV-DB | |
| ρl | 794.00 | kg/m3 | 293.00 | KDB |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [275.45; 656.92] | 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 | 1.74800e+01 | |||
| Coefficient B | 1.08064e+00 | |||
| Coefficient C | -5.18000e-04 | |||
| Coefficient D | 7.68000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 275.45 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 338.35 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 395.56 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 447.32 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 493.86 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 535.44 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 572.29 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 604.66 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 632.79 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 656.92 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0067706; 0.0002215] | Pa×s | [230.00; 463.17] |
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 | -1.17884e+01 | |||
| Coefficient B | 1.56245e+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. | 230.00 | |||
| Temperature range, max. | 463.17 | |||
| η | 0.0067706 | Pa×s | 230.00 | Calculated Property |
| η | 0.0034037 | Pa×s | 255.91 | Calculated Property |
| η | 0.0019417 | Pa×s | 281.81 | Calculated Property |
| η | 0.0012175 | Pa×s | 307.72 | Calculated Property |
| η | 0.0008208 | Pa×s | 333.63 | Calculated Property |
| η | 0.0005857 | Pa×s | 359.54 | Calculated Property |
| η | 0.0004373 | Pa×s | 385.44 | Calculated Property |
| η | 0.0003388 | Pa×s | 411.35 | Calculated Property |
| η | 0.0002705 | Pa×s | 437.26 | Calculated Property |
| η | 0.0002215 | Pa×s | 463.17 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.63] | kPa | [379.48; 531.16] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.52361e+01 | |||
| Coefficient B | -4.47931e+03 | |||
| Coefficient C | -7.98300e+01 | |||
| Temperature range, min. | 379.48 | |||
| Temperature range, max. | 531.16 | |||
| Pvap | 1.33 | kPa | 379.48 | Calculated Property |
| Pvap | 2.96 | kPa | 396.33 | Calculated Property |
| Pvap | 6.04 | kPa | 413.19 | Calculated Property |
| Pvap | 11.54 | kPa | 430.04 | Calculated Property |
| Pvap | 20.76 | kPa | 446.89 | Calculated Property |
| Pvap | 35.47 | kPa | 463.75 | Calculated Property |
| Pvap | 57.94 | kPa | 480.60 | Calculated Property |
| Pvap | 90.96 | kPa | 497.45 | Calculated Property |
| Pvap | 137.89 | kPa | 514.31 | Calculated Property |
| Pvap | 202.63 | kPa | 531.16 | Calculated Property |
| Pvap | [1.37e-06; 1751.16] | kPa | [230.15; 658.00] |
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 | 1.36877e+02 | |||
| Coefficient B | -1.28585e+04 | |||
| Coefficient C | -1.74530e+01 | |||
| Coefficient D | 7.82721e-06 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 230.15 | |||
| Temperature range, max. | 658.00 | |||
| Pvap | 1.37e-06 | kPa | 230.15 | Calculated Property |
| Pvap | 8.90e-04 | kPa | 277.69 | Calculated Property |
| Pvap | 0.06 | kPa | 325.23 | Calculated Property |
| Pvap | 1.14 | kPa | 372.77 | Calculated Property |
| Pvap | 9.33 | kPa | 420.31 | Calculated Property |
| Pvap | 44.80 | kPa | 467.84 | Calculated Property |
| Pvap | 150.55 | kPa | 515.38 | Calculated Property |
| Pvap | 396.47 | kPa | 562.92 | Calculated Property |
| Pvap | 882.77 | kPa | 610.46 | Calculated Property |
| Pvap | 1751.16 | kPa | 658.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Hexane, 1,1'-oxybis-.
Sources
- KDB Vapor Pressure Data
- Cheméo Relay (1.0)
- Crippen Method
- Critical properties of some aliphatic symmetrical ethers
- DIPPR Project 851 - Thirty Years of Vapor-Liquid Critical Point Measurements and Experimental Technique Development
- Joback Method
- KDB
- McGowan Method
- NIST Webbook
- NCMS SOLV-DB
- The Yaws Handbook of Vapor Pressure
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