- InChI
- InChI=1S/C32H66O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-33-31-32(2)3/h32H,4-31H2,1-3H3
- InChI Key
- TYNVUCGWZAJDCT-UHFFFAOYSA-N
- Formula
- C32H66O
- SMILES
-
CCCCCCCCCCCCCCCCCCCCCCCCCCCCOC
C(C)C - Molecular Weight1
- 466.87
- 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 | 1.3176 | Relay (1.0) Calculated Property | |
| ΔfG° | 111.12 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -839.66 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 76.30 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 153.89 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.95 | eV | Relay (1.0) Calculated Property |
| log10WS | -10.96 | Relay (1.0) Calculated Property | |
| logPoct/wat | 11.822 | Crippen Calculated Property | |
| McVol | 467.610 | ml/mol | McGowan Calculated Property |
| Pc | 541.08 | kPa | Joback Calculated Property |
| Inp | [3223.00; 3223.00] |
|
|
| Inp | 3223.00 | NIST | |
| Inp | 3223.00 | NIST | |
| Tboil | 663.08 | K | Relay (1.0) Calculated Property |
| Tc | 840.69 | K | Relay (1.0) Calculated Property |
| Tfus | 305.40 | K | Relay (1.0) Calculated Property |
| Vc | 1.839 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [699.41; 1689.28] | 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 | -2.38200e+00 | |||
| Coefficient B | 2.98656e+00 | |||
| Coefficient C | -1.60920e-03 | |||
| Coefficient D | 3.14300e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 699.41 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 866.71 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 1017.36 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 1152.35 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 1272.69 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1379.36 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1473.36 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1555.69 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1627.33 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1689.28 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0006286; 0.0000204] | Pa×s | [457.63; 832.57] |
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 | -1.49839e+01 | |||
| Coefficient B | 3.48347e+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. | 457.63 | |||
| Temperature range, max. | 832.57 | |||
| η | 0.0006286 | Pa×s | 457.63 | Calculated Property |
| η | 0.0003331 | Pa×s | 499.29 | Calculated Property |
| η | 0.0001946 | Pa×s | 540.95 | Calculated Property |
| η | 0.0001228 | Pa×s | 582.61 | Calculated Property |
| η | 0.0000824 | Pa×s | 624.27 | Calculated Property |
| η | 0.0000581 | Pa×s | 665.93 | Calculated Property |
| η | 0.0000427 | Pa×s | 707.59 | Calculated Property |
| η | 0.0000325 | Pa×s | 749.25 | Calculated Property |
| η | 0.0000254 | Pa×s | 790.91 | Calculated Property |
| η | 0.0000204 | Pa×s | 832.57 | Calculated Property |
Similar Compounds
Find more compounds similar to Isobutyl octacosyl ether.
Sources
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