- InChI
- InChI=1S/C36H74O/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-36-37-35-6-4-2/h3-36H2,1-2H3
- InChI Key
- ULDDDRQHDDRQOC-UHFFFAOYSA-N
- Formula
- C36H74O
- SMILES
-
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
CCOCCCC - Molecular Weight1
- 522.99
- 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 | 1.4806 | Relay (1.0) Calculated Property | |
| ΔfG° | 147.24 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -916.24 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 90.18 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 178.98 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.11 | eV | Relay (1.0) Calculated Property |
| log10WS | -11.88 | Relay (1.0) Calculated Property | |
| logPoct/wat | 13.526 | Crippen Calculated Property | |
| McVol | 523.970 | ml/mol | McGowan Calculated Property |
| Pc | 454.43 | kPa | Joback Calculated Property |
| Inp | [3663.00; 3663.00] |
|
|
| Inp | 3663.00 | NIST | |
| Inp | 3663.00 | NIST | |
| Tboil | 684.30 | K | Relay (1.0) Calculated Property |
| Tc | 861.10 | K | Relay (1.0) Calculated Property |
| Tfus | 314.04 | K | Relay (1.0) Calculated Property |
| Vc | 2.073 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [784.58; 1895.10] | 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 | -4.33600e+00 | |||
| Coefficient B | 3.36064e+00 | |||
| Coefficient C | -1.82360e-03 | |||
| Coefficient D | 3.62400e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 784.58 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 972.39 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 1141.42 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 1292.82 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 1427.73 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1547.30 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1652.68 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1745.01 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1825.43 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1895.10 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0002889; 0.0000103] | Pa×s | [517.71; 944.82] |
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 | -1.55324e+01 | |||
| Coefficient B | 3.82229e+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. | 517.71 | |||
| Temperature range, max. | 944.82 | |||
| η | 0.0002889 | Pa×s | 517.71 | Calculated Property |
| η | 0.0001554 | Pa×s | 565.17 | Calculated Property |
| η | 0.0000920 | Pa×s | 612.62 | Calculated Property |
| η | 0.0000588 | Pa×s | 660.08 | Calculated Property |
| η | 0.0000399 | Pa×s | 707.54 | Calculated Property |
| η | 0.0000284 | Pa×s | 754.99 | Calculated Property |
| η | 0.0000210 | Pa×s | 802.45 | Calculated Property |
| η | 0.0000161 | Pa×s | 849.91 | Calculated Property |
| η | 0.0000127 | Pa×s | 897.36 | Calculated Property |
| η | 0.0000103 | Pa×s | 944.82 | Calculated Property |
Similar Compounds
Find more compounds similar to Butyl dotriacontyl ether.
Sources
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