- InChI
- InChI=1S/C40H82/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-26-29-33-39(4)34-30-27-25-28-31-35-40(5)37-32-36-38(3)7-2/h38-40H,6-37H2,1-5H3
- InChI Key
- JOINQOCWDNVBSJ-UHFFFAOYSA-N
- Formula
- C40H82
- SMILES
-
CCCCCCCCCCCCCCCCCCCCCCC(C)CCCC
CCCC(C)CCCC(C)CC - Molecular Weight1
- 563.08
- 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 | 1.4350 | Relay (1.0) Calculated Property | |
| ΔfG° | 278.60 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -925.93 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 88.79 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 184.25 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.28 | eV | Relay (1.0) Calculated Property |
| log10WS | -13.85 | Relay (1.0) Calculated Property | |
| logPoct/wat | 15.418 | Crippen Calculated Property | |
| McVol | 574.460 | ml/mol | McGowan Calculated Property |
| Pc | 394.61 | kPa | Joback Calculated Property |
| Inp | [3835.00; 3837.00] |
|
|
| Inp | 3837.00 | NIST | |
| Inp | 3835.00 | NIST | |
| Inp | 3835.00 | NIST | |
| Inp | 3837.00 | NIST | |
| Inp | 3835.00 | NIST | |
| Tboil | 705.84 | K | Relay (1.0) Calculated Property |
| Tc | 874.24 | K | Relay (1.0) Calculated Property |
| Tfus | 287.93 | K | Relay (1.0) Calculated Property |
| Vc | 2.223 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [853.09; 2084.58] | 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 | -3.85180e+01 | |||
| Coefficient B | 3.82160e+00 | |||
| Coefficient C | -2.16180e-03 | |||
| Coefficient D | 4.63300e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 853.09 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 1063.43 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 1251.97 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 1420.18 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 1569.53 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1701.48 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1817.49 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1919.04 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 2007.58 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 2084.58 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0004037; 0.0000051] | Pa×s | [495.56; 1027.95] |
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 | -1.62705e+01 | |||
| Coefficient B | 4.19030e+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. | 495.56 | |||
| Temperature range, max. | 1027.95 | |||
| η | 0.0004037 | Pa×s | 495.56 | Calculated Property |
| η | 0.0001638 | Pa×s | 554.71 | Calculated Property |
| η | 0.0000791 | Pa×s | 613.87 | Calculated Property |
| η | 0.0000434 | Pa×s | 673.02 | Calculated Property |
| η | 0.0000263 | Pa×s | 732.18 | Calculated Property |
| η | 0.0000171 | Pa×s | 791.33 | Calculated Property |
| η | 0.0000118 | Pa×s | 850.49 | Calculated Property |
| η | 0.0000086 | Pa×s | 909.64 | Calculated Property |
| η | 0.0000065 | Pa×s | 968.80 | Calculated Property |
| η | 0.0000051 | Pa×s | 1027.95 | Calculated Property |
Similar Compounds
Find more compounds similar to 3,7,15-trimethyl-heptatriacontane.
Sources
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