- InChI
- InChI=1S/C20H42O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-19-20(2)3/h20H,4-19H2,1-3H3
- InChI Key
- CZWWITYVYJRTOX-UHFFFAOYSA-N
- Formula
- C20H42O
- SMILES
- CCCCCCCCCCCCCCCCOCC(C)C
- Molecular Weight1
- 298.55
- 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 | 0.8968 | Relay (1.0) Calculated Property | |
| ΔfG° | 10.08 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -589.83 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 45.22 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 95.66 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.54 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.66 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.140 | Crippen Calculated Property | |
| McVol | 298.530 | ml/mol | McGowan Calculated Property |
| Pc | 1009.73 | kPa | Joback Calculated Property |
| Inp | 2026.00 | NIST | |
| Tboil | 587.05 | K | Relay (1.0) Calculated Property |
| Tc | 760.58 | K | Relay (1.0) Calculated Property |
| Tfus | 268.51 | K | Relay (1.0) Calculated Property |
| Vc | 1.174 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [444.85; 1070.19] | 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 | 8.52600e+00 | |||
| Coefficient B | 1.84656e+00 | |||
| Coefficient C | -9.56400e-04 | |||
| Coefficient D | 1.71500e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 444.85 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 549.69 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 644.43 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 729.60 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 805.75 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 873.43 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 933.17 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 985.51 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1031.00 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1070.19 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0032060; 0.0001170] | Pa×s | [322.39; 589.96] |
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 | -1.30430e+01 | |||
| Coefficient B | 2.35355e+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. | 322.39 | |||
| Temperature range, max. | 589.96 | |||
| η | 0.0032060 | Pa×s | 322.39 | Calculated Property |
| η | 0.0017309 | Pa×s | 352.12 | Calculated Property |
| η | 0.0010287 | Pa×s | 381.85 | Calculated Property |
| η | 0.0006591 | Pa×s | 411.58 | Calculated Property |
| η | 0.0004484 | Pa×s | 441.31 | Calculated Property |
| η | 0.0003202 | Pa×s | 471.04 | Calculated Property |
| η | 0.0002380 | Pa×s | 500.77 | Calculated Property |
| η | 0.0001829 | Pa×s | 530.50 | Calculated Property |
| η | 0.0001445 | Pa×s | 560.23 | Calculated Property |
| η | 0.0001170 | Pa×s | 589.96 | Calculated Property |
Similar Compounds
Find more compounds similar to Isobutyl hexadecyl ether.
Sources
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