- InChI
- InChI=1S/C33H68/c1-6-8-10-12-14-15-17-21-27-32(4)29-24-30-33(5)28-23-19-18-22-26-31(3)25-20-16-13-11-9-7-2/h31-33H,6-30H2,1-5H3
- InChI Key
- BFUNRXMOYKXZOR-UHFFFAOYSA-N
- Formula
- C33H68
- SMILES
-
CCCCCCCCCCC(C)CCCC(C)CCCCCCC(C
)CCCCCCCC - Molecular Weight1
- 464.89
- 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 | 1.1873 | Relay (1.0) Calculated Property | |
| ΔfG° | 219.66 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -780.26 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 70.66 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 151.12 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.93 | eV | Relay (1.0) Calculated Property |
| log10WS | -11.95 | Relay (1.0) Calculated Property | |
| logPoct/wat | 12.687 | Crippen Calculated Property | |
| McVol | 475.830 | ml/mol | McGowan Calculated Property |
| Pc | 525.57 | kPa | Joback Calculated Property |
| Inp | [3153.00; 3153.00] |
|
|
| Inp | 3153.00 | NIST | |
| Inp | 3153.00 | NIST | |
| Tboil | 660.94 | K | Relay (1.0) Calculated Property |
| Tc | 834.70 | K | Relay (1.0) Calculated Property |
| Tfus | 268.73 | K | Relay (1.0) Calculated Property |
| Vc | 1.843 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [704.59; 1723.45] | 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 | -3.21550e+01 | |||
| Coefficient B | 3.15660e+00 | |||
| Coefficient C | -1.78100e-03 | |||
| Coefficient D | 3.80000e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 704.59 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 878.50 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 1034.42 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 1173.57 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 1297.15 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1406.35 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1502.38 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1586.43 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1659.72 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1723.44 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0013680; 0.0000202] | Pa×s | [416.67; 829.21] |
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 | -1.50692e+01 | |||
| Coefficient B | 3.53118e+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. | 416.67 | |||
| Temperature range, max. | 829.21 | |||
| η | 0.0013680 | Pa×s | 416.67 | Calculated Property |
| η | 0.0005906 | Pa×s | 462.51 | Calculated Property |
| η | 0.0002967 | Pa×s | 508.35 | Calculated Property |
| η | 0.0001670 | Pa×s | 554.18 | Calculated Property |
| η | 0.0001027 | Pa×s | 600.02 | Calculated Property |
| η | 0.0000676 | Pa×s | 645.86 | Calculated Property |
| η | 0.0000471 | Pa×s | 691.70 | Calculated Property |
| η | 0.0000343 | Pa×s | 737.53 | Calculated Property |
| η | 0.0000259 | Pa×s | 783.37 | Calculated Property |
| η | 0.0000202 | Pa×s | 829.21 | Calculated Property |
Similar Compounds
Find more compounds similar to 11,15,22-Trimethyltriacontane.
Sources
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