- InChI
- InChI=1S/C35H72/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-31-35(4)33-30-32-34(3)6-2/h34-35H,5-33H2,1-4H3
- InChI Key
- DIDIUHOFVAPJGZ-UHFFFAOYSA-N
- Formula
- C35H72
- SMILES
-
CCCCCCCCCCCCCCCCCCCCCCCCCCC(C)
CCCC(C)CC - Molecular Weight1
- 492.96
- 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 | 1.3032 | Relay (1.0) Calculated Property | |
| ΔfG° | 238.94 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -799.38 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 79.36 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 166.27 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.16 | eV | Relay (1.0) Calculated Property |
| log10WS | -12.58 | Relay (1.0) Calculated Property | |
| logPoct/wat | 13.611 | Crippen Calculated Property | |
| McVol | 504.010 | ml/mol | McGowan Calculated Property |
| Pc | 480.50 | kPa | Joback Calculated Property |
| Inp | [3401.00; 3410.00] |
|
|
| Inp | 3406.00 | NIST | |
| Inp | 3401.00 | NIST | |
| Inp | 3404.00 | NIST | |
| Inp | 3410.00 | NIST | |
| Inp | 3410.00 | NIST | |
| Inp | 3406.00 | NIST | |
| Tboil | 673.11 | K | Relay (1.0) Calculated Property |
| Tc | 844.64 | K | Relay (1.0) Calculated Property |
| Tfus | 292.96 | K | Relay (1.0) Calculated Property |
| Vc | 1.967 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [747.33; 1826.09] | 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 | -3.22910e+01 | |||
| Coefficient B | 3.34068e+00 | |||
| Coefficient C | -1.88660e-03 | |||
| Coefficient D | 4.04300e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 747.33 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 931.34 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 1096.33 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 1243.58 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 1374.37 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1489.97 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1591.66 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1680.73 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1758.44 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1826.09 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0007702; 0.0000151] | Pa×s | [454.21; 882.47] |
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 | -1.52746e+01 | |||
| Coefficient B | 3.68168e+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. | 454.21 | |||
| Temperature range, max. | 882.47 | |||
| η | 0.0007702 | Pa×s | 454.21 | Calculated Property |
| η | 0.0003571 | Pa×s | 501.79 | Calculated Property |
| η | 0.0001891 | Pa×s | 549.38 | Calculated Property |
| η | 0.0001109 | Pa×s | 596.96 | Calculated Property |
| η | 0.0000703 | Pa×s | 644.55 | Calculated Property |
| η | 0.0000475 | Pa×s | 692.13 | Calculated Property |
| η | 0.0000337 | Pa×s | 739.72 | Calculated Property |
| η | 0.0000250 | Pa×s | 787.30 | Calculated Property |
| η | 0.0000191 | Pa×s | 834.89 | Calculated Property |
| η | 0.0000151 | Pa×s | 882.47 | Calculated Property |
Similar Compounds
Find more compounds similar to 3,7-dimethyl-tritriacontane.
Sources
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