- InChI
- InChI=1S/C22H46O/c1-3-5-7-9-11-12-13-14-15-16-18-20-22-23-21-19-17-10-8-6-4-2/h3-22H2,1-2H3
- InChI Key
- OGJTVZHMXMMZCH-UHFFFAOYSA-N
- Formula
- C22H46O
- SMILES
- CCCCCCCCCCCCCCOCCCCCCCC
- Molecular Weight1
- 326.60
- 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).
- 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 | 0.9911 | Relay (1.0) Calculated Property | |
| ΔfG° | 29.36 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -628.32 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 53.92 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 111.02 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.56 | eV | Relay (1.0) Calculated Property |
| log10WS | -8.05 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.065 | Crippen Calculated Property | |
| McVol | 326.710 | ml/mol | McGowan Calculated Property |
| Pc | 892.67 | kPa | Joback Calculated Property |
| Tboil | 597.41 | K | Relay (1.0) Calculated Property |
| Tc | 778.10 | K | Relay (1.0) Calculated Property |
| Tfus | 285.10 | K | Relay (1.0) Calculated Property |
| Vc | 1.304 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [487.59; 1172.83] | 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 | 8.39000e+00 | |||
| Coefficient B | 2.03064e+00 | |||
| Coefficient C | -1.06200e-03 | |||
| Coefficient D | 1.95800e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 487.59 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 602.54 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 706.34 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 799.61 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 882.97 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 957.05 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1022.45 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1079.80 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1129.72 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1172.83 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0019109; 0.0001004] | Pa×s | [359.93; 624.35] |
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 | -1.32172e+01 | |||
| Coefficient B | 2.50405e+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. | 359.93 | |||
| Temperature range, max. | 624.35 | |||
| η | 0.0019109 | Pa×s | 359.93 | Calculated Property |
| η | 0.0011304 | Pa×s | 389.31 | Calculated Property |
| η | 0.0007198 | Pa×s | 418.69 | Calculated Property |
| η | 0.0004863 | Pa×s | 448.07 | Calculated Property |
| η | 0.0003448 | Pa×s | 477.45 | Calculated Property |
| η | 0.0002544 | Pa×s | 506.83 | Calculated Property |
| η | 0.0001941 | Pa×s | 536.21 | Calculated Property |
| η | 0.0001523 | Pa×s | 565.59 | Calculated Property |
| η | 0.0001224 | Pa×s | 594.97 | Calculated Property |
| η | 0.0001004 | Pa×s | 624.35 | Calculated Property |
Similar Compounds
Find more compounds similar to octyl tetradecyl ether.
Sources
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