- InChI
- InChI=1S/C41H84/c1-7-9-10-11-12-13-14-15-16-17-18-19-20-24-32-39(4)34-27-22-28-36-41(6)37-30-23-29-35-40(5)33-26-21-25-31-38(3)8-2/h38-41H,7-37H2,1-6H3
- InChI Key
- BJFUMFVAERSXGO-UHFFFAOYSA-N
- Formula
- C41H84
- SMILES
-
CCCCCCCCCCCCCCCCC(C)CCCCCC(C)C
CCCCC(C)CCCCCC(C)CC - Molecular Weight1
- 577.12
- 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 | 1.4272 | Relay (1.0) Calculated Property | |
| ΔfG° | 284.58 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -977.07 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 87.85 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 183.37 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.37 | eV | Relay (1.0) Calculated Property |
| log10WS | -14.04 | Relay (1.0) Calculated Property | |
| logPoct/wat | 15.664 | Crippen Calculated Property | |
| McVol | 588.550 | ml/mol | McGowan Calculated Property |
| Pc | 381.17 | kPa | Joback Calculated Property |
| Inp | 3865.00 | NIST | |
| Tboil | 713.89 | K | Relay (1.0) Calculated Property |
| Tc | 881.42 | K | Relay (1.0) Calculated Property |
| Tfus | 278.57 | K | Relay (1.0) Calculated Property |
| Vc | 2.263 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [873.99; 2136.71] | 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 | -4.11090e+01 | |||
| Coefficient B | 3.92252e+00 | |||
| Coefficient C | -2.21940e-03 | |||
| Coefficient D | 4.74700e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 873.99 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 1089.83 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 1283.29 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 1455.86 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 1609.04 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1744.34 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1863.26 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1967.29 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 2057.94 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 2136.71 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0004135; 0.0000038] | Pa×s | [491.83; 1056.68] |
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 | -1.65789e+01 | |||
| Coefficient B | 4.32228e+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. | 491.83 | |||
| Temperature range, max. | 1056.68 | |||
| η | 0.0004135 | Pa×s | 491.83 | Calculated Property |
| η | 0.0001530 | Pa×s | 554.59 | Calculated Property |
| η | 0.0000693 | Pa×s | 617.35 | Calculated Property |
| η | 0.0000363 | Pa×s | 680.11 | Calculated Property |
| η | 0.0000212 | Pa×s | 742.87 | Calculated Property |
| η | 0.0000135 | Pa×s | 805.64 | Calculated Property |
| η | 0.0000092 | Pa×s | 868.40 | Calculated Property |
| η | 0.0000065 | Pa×s | 931.16 | Calculated Property |
| η | 0.0000049 | Pa×s | 993.92 | Calculated Property |
| η | 0.0000038 | Pa×s | 1056.68 | Calculated Property |
Similar Compounds
Find more compounds similar to 3,9,15,21-tetramethylheptatriacontane.
Sources
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