- InChI
- InChI=1S/C38H78O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-39-37-38(2)3/h38H,4-37H2,1-3H3
- InChI Key
- RRTKOWOOFOPUHY-UHFFFAOYSA-N
- Formula
- C38H78O
- SMILES
-
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
CCCCOCC(C)C - 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 | 1.5276 | Relay (1.0) Calculated Property | |
| ΔfG° | 161.64 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -962.58 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 91.84 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 182.15 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.17 | eV | Relay (1.0) Calculated Property |
| log10WS | -12.60 | Relay (1.0) Calculated Property | |
| logPoct/wat | 14.162 | Crippen Calculated Property | |
| McVol | 552.150 | ml/mol | McGowan Calculated Property |
| Pc | 420.78 | kPa | Joback Calculated Property |
| Inp | [3826.00; 3826.00] |
|
|
| Inp | 3826.00 | NIST | |
| Inp | 3826.00 | NIST | |
| Tboil | 700.22 | K | Relay (1.0) Calculated Property |
| Tc | 873.90 | K | Relay (1.0) Calculated Property |
| Tfus | 316.01 | K | Relay (1.0) Calculated Property |
| Vc | 2.165 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [826.69; 1998.82] | 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 | -7.83600e+00 | |||
| Coefficient B | 3.55656e+00 | |||
| Coefficient C | -1.93560e-03 | |||
| Coefficient D | 3.85700e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 826.69 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 1025.22 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 1203.82 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 1363.73 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 1506.16 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1632.33 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1743.46 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1840.77 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1925.49 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1998.82 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0002474; 0.0000063] | Pa×s | [525.25; 1003.17] |
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 | -1.60122e+01 | |||
| Coefficient B | 4.04843e+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. | 525.25 | |||
| Temperature range, max. | 1003.17 | |||
| η | 0.0002474 | Pa×s | 525.25 | Calculated Property |
| η | 0.0001219 | Pa×s | 578.35 | Calculated Property |
| η | 0.0000677 | Pa×s | 631.45 | Calculated Property |
| η | 0.0000412 | Pa×s | 684.56 | Calculated Property |
| η | 0.0000269 | Pa×s | 737.66 | Calculated Property |
| η | 0.0000186 | Pa×s | 790.76 | Calculated Property |
| η | 0.0000135 | Pa×s | 843.86 | Calculated Property |
| η | 0.0000101 | Pa×s | 896.97 | Calculated Property |
| η | 0.0000079 | Pa×s | 950.07 | Calculated Property |
| η | 0.0000063 | Pa×s | 1003.17 | Calculated Property |
Similar Compounds
Find more compounds similar to Isobutyl tetratriacontyl ether.
Sources
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