- InChI
- InChI=1S/C36H74/c1-8-10-22-33(4)28-30-35(6)26-19-16-14-12-13-15-18-24-32(3)25-20-17-21-27-36(7)31-29-34(5)23-11-9-2/h32-36H,8-31H2,1-7H3
- InChI Key
- GJOAGTYJAZJKRW-UHFFFAOYSA-N
- Formula
- C36H74
- SMILES
-
CCCCC(C)CCC(C)CCCCCCCCCC(C)CCC
CCC(C)CCC(C)CCCC - Molecular Weight1
- 506.99
- 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 | 1.2129 | Relay (1.0) Calculated Property | |
| ΔfG° | 240.04 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -883.29 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 71.38 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 155.08 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.01 | eV | Relay (1.0) Calculated Property |
| log10WS | -12.58 | Relay (1.0) Calculated Property | |
| logPoct/wat | 13.569 | Crippen Calculated Property | |
| McVol | 518.100 | ml/mol | McGowan Calculated Property |
| Pc | 465.68 | kPa | Joback Calculated Property |
| Inp | 3293.00 | NIST | |
| Tboil | 681.06 | K | Relay (1.0) Calculated Property |
| Tc | 854.79 | K | Relay (1.0) Calculated Property |
| Tfus | 249.55 | K | Relay (1.0) Calculated Property |
| Vc | 1.978 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [767.60; 1879.29] | 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 | -3.82460e+01 | |||
| Coefficient B | 3.45344e+00 | |||
| Coefficient C | -1.95060e-03 | |||
| Coefficient D | 4.14700e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 767.60 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 957.73 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 1128.15 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 1280.16 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 1415.09 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1534.24 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1638.92 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1730.45 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1810.14 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1879.29 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0013633; 0.0000098] | Pa×s | [420.48; 900.47] |
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 | -1.58475e+01 | |||
| Coefficient B | 3.88930e+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. | 420.48 | |||
| Temperature range, max. | 900.47 | |||
| η | 0.0013633 | Pa×s | 420.48 | Calculated Property |
| η | 0.0004813 | Pa×s | 473.81 | Calculated Property |
| η | 0.0002098 | Pa×s | 527.14 | Calculated Property |
| η | 0.0001065 | Pa×s | 580.48 | Calculated Property |
| η | 0.0000606 | Pa×s | 633.81 | Calculated Property |
| η | 0.0000376 | Pa×s | 687.14 | Calculated Property |
| η | 0.0000250 | Pa×s | 740.47 | Calculated Property |
| η | 0.0000176 | Pa×s | 793.80 | Calculated Property |
| η | 0.0000129 | Pa×s | 847.13 | Calculated Property |
| η | 0.0000098 | Pa×s | 900.47 | Calculated Property |
Similar Compounds
Find more compounds similar to 5,8,14,24,27-pentamethylhentriacontane.
Sources
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