- InChI
- InChI=1S/C38H78O/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-38-39-37-6-4-2/h3-38H2,1-2H3
- InChI Key
- LQBRCUVAKCXFPQ-UHFFFAOYSA-N
- Formula
- C38H78O
- SMILES
-
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
CCCCOCCCC - Molecular Weight1
- 551.04
- 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 | 1.5507 | Relay (1.0) Calculated Property | |
| ΔfG° | 164.08 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -957.16 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 95.36 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 188.34 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.19 | eV | Relay (1.0) Calculated Property |
| log10WS | -12.43 | Relay (1.0) Calculated Property | |
| logPoct/wat | 14.306 | Crippen Calculated Property | |
| McVol | 552.150 | ml/mol | McGowan Calculated Property |
| Pc | 419.40 | kPa | Joback Calculated Property |
| Inp | [3892.00; 3892.00] |
|
|
| Inp | 3892.00 | NIST | |
| Inp | 3892.00 | NIST | |
| Tboil | 696.64 | K | Relay (1.0) Calculated Property |
| Tc | 871.96 | K | Relay (1.0) Calculated Property |
| Tfus | 317.14 | K | Relay (1.0) Calculated Property |
| Vc | 2.181 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [827.01; 1998.29] | 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 | -6.15400e+00 | |||
| Coefficient B | 3.55064e+00 | |||
| Coefficient C | -1.93240e-03 | |||
| Coefficient D | 3.86200e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 827.01 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 1025.23 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 1203.58 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 1363.28 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 1505.55 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1631.63 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1742.71 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1840.04 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1924.82 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1998.29 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0002129; 0.0000068] | Pa×s | [540.25; 1008.20] |
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 | -1.58782e+01 | |||
| Coefficient B | 4.01061e+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. | 540.25 | |||
| Temperature range, max. | 1008.20 | |||
| η | 0.0002129 | Pa×s | 540.25 | Calculated Property |
| η | 0.0001110 | Pa×s | 592.24 | Calculated Property |
| η | 0.0000642 | Pa×s | 644.24 | Calculated Property |
| η | 0.0000404 | Pa×s | 696.23 | Calculated Property |
| η | 0.0000270 | Pa×s | 748.23 | Calculated Property |
| η | 0.0000191 | Pa×s | 800.22 | Calculated Property |
| η | 0.0000141 | Pa×s | 852.22 | Calculated Property |
| η | 0.0000107 | Pa×s | 904.21 | Calculated Property |
| η | 0.0000084 | Pa×s | 956.21 | Calculated Property |
| η | 0.0000068 | Pa×s | 1008.20 | Calculated Property |
Similar Compounds
Find more compounds similar to Butyl tetratriacontyl ether.
Sources
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