- InChI
- InChI=1S/C32H66O/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-32H2,1-2H3
- InChI Key
- FDCJDKXCCYFOCV-UHFFFAOYSA-N
- Formula
- C32H66O
- SMILES
-
CCCCCCCCCCCCCCCCOCCCCCCCCCCCCC
CCC - Molecular Weight1
- 466.88
- Other Names
-
- 17-Oxatritriacontane
- Dihexadecyl ether
- Hexadecyl 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).
- ΔfusH : Enthalpy of fusion at a given temperature (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).
- 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 | 1.3422 | Relay (1.0) Calculated Property | |
| ΔfG° | 113.56 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -834.02 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 79.82 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 156.47 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.92 | eV | Relay (1.0) Calculated Property |
| log10WS | -10.80 | Relay (1.0) Calculated Property | |
| logPoct/wat | 11.966 | Crippen Calculated Property | |
| McVol | 467.610 | ml/mol | McGowan Calculated Property |
| Pc | 539.08 | kPa | Joback Calculated Property |
| Tboil | 659.69 | K | Relay (1.0) Calculated Property |
| Tc | 835.81 | K | Relay (1.0) Calculated Property |
| Tfus | 328.15 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Vc | 1.855 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔfusH | 116.73 | kJ/mol | 324.70 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [699.73; 1688.74] | 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 | -7.00000e-01 | |||
| Coefficient B | 2.98064e+00 | |||
| Coefficient C | -1.60600e-03 | |||
| Coefficient D | 3.14800e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 699.73 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 866.72 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 1017.11 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 1151.90 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 1272.09 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1378.66 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1472.61 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1554.95 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1626.66 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1688.74 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0129107; 0.0000220] | Pa×s | [328.15; 834.87] |
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 | -1.48499e+01 | |||
| Coefficient B | 3.44565e+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. | 328.15 | |||
| Temperature range, max. | 834.87 | |||
| η | 0.0129107 | Pa×s | 328.15 | Calculated Property |
| η | 0.0027741 | Pa×s | 384.45 | Calculated Property |
| η | 0.0008829 | Pa×s | 440.75 | Calculated Property |
| η | 0.0003642 | Pa×s | 497.06 | Calculated Property |
| η | 0.0001799 | Pa×s | 553.36 | Calculated Property |
| η | 0.0001012 | Pa×s | 609.66 | Calculated Property |
| η | 0.0000628 | Pa×s | 665.96 | Calculated Property |
| η | 0.0000419 | Pa×s | 722.27 | Calculated Property |
| η | 0.0000297 | Pa×s | 778.57 | Calculated Property |
| η | 0.0000220 | Pa×s | 834.87 | Calculated Property |
Similar Compounds
Find more compounds similar to Hexadecane, 1,1'-oxybis-.
Sources
- 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
- Joback Method
- McGowan Method
- NIST Webbook
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