- InChI
- InChI=1S/C18H38O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-19-17-18(2)3/h18H,4-17H2,1-3H3
- InChI Key
- WMSPFJNZFZJMJS-UHFFFAOYSA-N
- Formula
- C18H38O
- SMILES
- CCCCCCCCCCCCCCOCC(C)C
- Molecular Weight1
- 270.49
- 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 | 0.8264 | Relay (1.0) Calculated Property | |
| ΔfG° | -6.76 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -547.87 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 40.04 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 86.36 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.48 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.10 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.360 | Crippen Calculated Property | |
| McVol | 270.350 | ml/mol | McGowan Calculated Property |
| Pc | 1145.21 | kPa | Joback Calculated Property |
| Inp | [1826.00; 1826.00] |
|
|
| Inp | 1826.00 | NIST | |
| Inp | 1826.00 | NIST | |
| Tboil | 569.74 | K | Relay (1.0) Calculated Property |
| Tc | 741.45 | K | Relay (1.0) Calculated Property |
| Tfus | 257.27 | K | Relay (1.0) Calculated Property |
| Vc | 1.060 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [402.42; 967.00] | 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 | 1.03440e+01 | |||
| Coefficient B | 1.65656e+00 | |||
| Coefficient C | -8.47600e-04 | |||
| Coefficient D | 1.47700e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 402.42 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 496.85 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 582.27 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 659.14 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 727.93 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 789.11 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 843.13 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 890.48 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 931.62 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 967.00 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0039951; 0.0001428] | Pa×s | [299.85; 556.66] |
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 | -1.27437e+01 | |||
| Coefficient B | 2.16523e+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. | 299.85 | |||
| Temperature range, max. | 556.66 | |||
| η | 0.0039951 | Pa×s | 299.85 | Calculated Property |
| η | 0.0021332 | Pa×s | 328.38 | Calculated Property |
| η | 0.0012592 | Pa×s | 356.92 | Calculated Property |
| η | 0.0008036 | Pa×s | 385.45 | Calculated Property |
| η | 0.0005456 | Pa×s | 413.99 | Calculated Property |
| η | 0.0003894 | Pa×s | 442.52 | Calculated Property |
| η | 0.0002896 | Pa×s | 471.06 | Calculated Property |
| η | 0.0002227 | Pa×s | 499.59 | Calculated Property |
| η | 0.0001762 | Pa×s | 528.12 | Calculated Property |
| η | 0.0001428 | Pa×s | 556.66 | Calculated Property |
Similar Compounds
Find more compounds similar to Isobutyl tetradecyl ether.
Sources
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