- InChI
- InChI=1S/C36H74/c1-5-7-9-11-13-15-16-17-18-19-20-21-23-25-27-29-32-36(4)34-30-33-35(3)31-28-26-24-22-14-12-10-8-6-2/h35-36H,5-34H2,1-4H3
- InChI Key
- XJPRTPKOMOZZCM-UHFFFAOYSA-N
- Formula
- C36H74
- SMILES
-
CCCCCCCCCCCCCCCCCCC(C)CCCC(C)C
CCCCCCCCCC - Molecular Weight1
- 506.97
- 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 | 1.3348 | Relay (1.0) Calculated Property | |
| ΔfG° | 247.36 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -817.99 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 81.95 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 171.16 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.11 | eV | Relay (1.0) Calculated Property |
| log10WS | -12.85 | Relay (1.0) Calculated Property | |
| logPoct/wat | 14.001 | Crippen Calculated Property | |
| McVol | 518.100 | ml/mol | McGowan Calculated Property |
| Pc | 460.89 | kPa | Joback Calculated Property |
| Inp | [3452.00; 3455.00] |
|
|
| Inp | 3455.00 | NIST | |
| Inp | 3455.00 | NIST | |
| Inp | 3452.00 | NIST | |
| Inp | 3455.00 | NIST | |
| Tboil | 678.04 | K | Relay (1.0) Calculated Property |
| Tc | 849.87 | K | Relay (1.0) Calculated Property |
| Tfus | 290.58 | K | Relay (1.0) Calculated Property |
| Vc | 2.022 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [768.55; 1877.68] | 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 | -3.32000e+01 | |||
| Coefficient B | 3.43568e+00 | |||
| Coefficient C | -1.94100e-03 | |||
| Coefficient D | 4.16200e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 768.55 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 957.76 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 1127.41 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 1278.81 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 1413.28 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1532.13 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1636.68 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1728.24 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1808.14 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1877.68 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0006531; 0.0000124] | Pa×s | [465.48; 909.80] |
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 | -1.54455e+01 | |||
| Coefficient B | 3.77584e+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. | 465.48 | |||
| Temperature range, max. | 909.80 | |||
| η | 0.0006531 | Pa×s | 465.48 | Calculated Property |
| η | 0.0003000 | Pa×s | 514.85 | Calculated Property |
| η | 0.0001579 | Pa×s | 564.22 | Calculated Property |
| η | 0.0000922 | Pa×s | 613.59 | Calculated Property |
| η | 0.0000583 | Pa×s | 662.96 | Calculated Property |
| η | 0.0000393 | Pa×s | 712.32 | Calculated Property |
| η | 0.0000279 | Pa×s | 761.69 | Calculated Property |
| η | 0.0000206 | Pa×s | 811.06 | Calculated Property |
| η | 0.0000158 | Pa×s | 860.43 | Calculated Property |
| η | 0.0000124 | Pa×s | 909.80 | Calculated Property |
Similar Compounds
Find more compounds similar to 12,16-dimethyltetratriacontane.
Sources
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