- InChI
- InChI=1S/C36H74O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-37-35-36(2)3/h36H,4-35H2,1-3H3
- InChI Key
- DQHNGEPVMUWTHU-UHFFFAOYSA-N
- Formula
- C36H74O
- SMILES
-
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
CCOCC(C)C - Molecular Weight1
- 522.97
- 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 | 1.4576 | Relay (1.0) Calculated Property | |
| ΔfG° | 144.80 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -921.64 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 86.66 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 172.78 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.10 | eV | Relay (1.0) Calculated Property |
| log10WS | -12.06 | Relay (1.0) Calculated Property | |
| logPoct/wat | 13.382 | Crippen Calculated Property | |
| McVol | 523.970 | ml/mol | McGowan Calculated Property |
| Pc | 455.99 | kPa | Joback Calculated Property |
| Inp | [3620.00; 3620.00] |
|
|
| Inp | 3620.00 | NIST | |
| Inp | 3620.00 | NIST | |
| Tboil | 687.86 | K | Relay (1.0) Calculated Property |
| Tc | 863.03 | K | Relay (1.0) Calculated Property |
| Tfus | 312.63 | K | Relay (1.0) Calculated Property |
| Vc | 2.057 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [784.27; 1895.64] | 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 | -6.01800e+00 | |||
| Coefficient B | 3.36656e+00 | |||
| Coefficient C | -1.82680e-03 | |||
| Coefficient D | 3.61900e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 784.27 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 972.38 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 1141.67 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 1293.27 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 1428.34 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1548.01 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1653.43 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1745.75 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1826.10 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1895.64 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0003396; 0.0000095] | Pa×s | [502.71; 940.85] |
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 | -1.56664e+01 | |||
| Coefficient B | 3.86011e+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. | 502.71 | |||
| Temperature range, max. | 940.85 | |||
| η | 0.0003396 | Pa×s | 502.71 | Calculated Property |
| η | 0.0001724 | Pa×s | 551.39 | Calculated Property |
| η | 0.0000977 | Pa×s | 600.07 | Calculated Property |
| η | 0.0000603 | Pa×s | 648.76 | Calculated Property |
| η | 0.0000398 | Pa×s | 697.44 | Calculated Property |
| η | 0.0000277 | Pa×s | 746.12 | Calculated Property |
| η | 0.0000202 | Pa×s | 794.80 | Calculated Property |
| η | 0.0000153 | Pa×s | 843.49 | Calculated Property |
| η | 0.0000119 | Pa×s | 892.17 | Calculated Property |
| η | 0.0000095 | Pa×s | 940.85 | Calculated Property |
Similar Compounds
Find more compounds similar to Dotriacontyl isobutyl ether.
Sources
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