- InChI
- InChI=1S/C19H40O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-19(2)3/h19H,4-18H2,1-3H3
- InChI Key
- CEXOLTXCCQUWDT-UHFFFAOYSA-N
- Formula
- C19H40O
- SMILES
- CCCCCCCCCCCCCCCCOC(C)C
- Molecular Weight1
- 284.53
- 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 | 0.8452 | Relay (1.0) Calculated Property | |
| ΔfG° | 1.66 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -580.98 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 42.63 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 94.08 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.49 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.13 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.893 | Crippen Calculated Property | |
| McVol | 284.440 | ml/mol | McGowan Calculated Property |
| Pc | 1074.28 | kPa | Joback Calculated Property |
| Inp | [1928.00; 1928.00] |
|
|
| Inp | 1928.00 | NIST | |
| Inp | 1928.00 | NIST | |
| Tboil | 571.76 | K | Relay (1.0) Calculated Property |
| Tc | 738.26 | K | Relay (1.0) Calculated Property |
| Tfus | 281.92 | K | Relay (1.0) Calculated Property |
| Vc | 1.128 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [423.63; 1018.60] | 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 | 9.43500e+00 | |||
| Coefficient B | 1.75156e+00 | |||
| Coefficient C | -9.02000e-04 | |||
| Coefficient D | 1.59600e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 423.63 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 523.27 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 613.35 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 694.37 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 766.84 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 831.27 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 888.15 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 938.00 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 981.31 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1018.59 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0035884; 0.0001297] | Pa×s | [311.12; 573.15] |
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 | -1.28922e+01 | |||
| Coefficient B | 2.25939e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 311.12 | |||
| Temperature range, max. | 573.15 | |||
| η | 0.0035884 | Pa×s | 311.12 | Calculated Property |
| η | 0.0019276 | Pa×s | 340.23 | Calculated Property |
| η | 0.0011420 | Pa×s | 369.35 | Calculated Property |
| η | 0.0007304 | Pa×s | 398.46 | Calculated Property |
| η | 0.0004965 | Pa×s | 427.58 | Calculated Property |
| η | 0.0003545 | Pa×s | 456.69 | Calculated Property |
| η | 0.0002635 | Pa×s | 485.81 | Calculated Property |
| η | 0.0002026 | Pa×s | 514.92 | Calculated Property |
| η | 0.0001602 | Pa×s | 544.03 | Calculated Property |
| η | 0.0001297 | Pa×s | 573.15 | Calculated Property |
Similar Compounds
Find more compounds similar to Hexadecyl isopropyl ether.
Sources
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