- InChI
- InChI=1S/C36H74/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36(2)3/h36H,4-35H2,1-3H3
- InChI Key
- JYIYHCHWLVGEBB-UHFFFAOYSA-N
- Formula
- C36H74
- SMILES
-
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
CCCC(C)C - Molecular Weight1
- 506.97
- CAS
- 66576-73-6
- 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (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).
- Pvap : Vapor pressure (kPa).
- 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 | 1.3914 | Relay (1.0) Calculated Property | |
| ΔfG° | 249.80 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -804.80 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 85.47 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 179.11 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.45 | eV | Relay (1.0) Calculated Property |
| log10WS | -12.97 | Relay (1.0) Calculated Property | |
| logPoct/wat | 14.146 | Crippen Calculated Property | |
| McVol | 518.100 | ml/mol | McGowan Calculated Property |
| Pc | 459.31 | kPa | Joback Calculated Property |
| Tboil | 678.31 | K | Relay (1.0) Calculated Property |
| Tc | 846.69 | K | Relay (1.0) Calculated Property |
| Tfus | 343.20 ± 0.50 | K | NIST |
| Vc | 2.058 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | 128.70 | kJ/mol | 631.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [768.86; 1877.14] | 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 | -3.15180e+01 | |||
| Coefficient B | 3.42976e+00 | |||
| Coefficient C | -1.93780e-03 | |||
| Coefficient D | 4.16700e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 768.86 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 957.77 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 1127.17 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 1278.36 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 1412.67 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1531.42 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1635.93 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1727.50 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1807.47 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1877.14 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0120361; 0.0000134] | Pa×s | [343.20; 913.20] |
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 | -1.53115e+01 | |||
| Coefficient B | 3.73802e+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. | 343.20 | |||
| Temperature range, max. | 913.20 | |||
| η | 0.0120361 | Pa×s | 343.20 | Calculated Property |
| η | 0.0022059 | Pa×s | 406.53 | Calculated Property |
| η | 0.0006387 | Pa×s | 469.87 | Calculated Property |
| η | 0.0002483 | Pa×s | 533.20 | Calculated Property |
| η | 0.0001179 | Pa×s | 596.53 | Calculated Property |
| η | 0.0000646 | Pa×s | 659.87 | Calculated Property |
| η | 0.0000394 | Pa×s | 723.20 | Calculated Property |
| η | 0.0000260 | Pa×s | 786.53 | Calculated Property |
| η | 0.0000182 | Pa×s | 849.86 | Calculated Property |
| η | 0.0000134 | Pa×s | 913.20 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [597.34; 808.48] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.48713e+01 | |||
| Coefficient B | -5.85950e+03 | |||
| Coefficient C | -1.95550e+02 | |||
| Temperature range, min. | 597.34 | |||
| Temperature range, max. | 808.48 | |||
| Pvap | 1.33 | kPa | 597.34 | Calculated Property |
| Pvap | 2.98 | kPa | 620.80 | Calculated Property |
| Pvap | 6.13 | kPa | 644.26 | Calculated Property |
| Pvap | 11.72 | kPa | 667.72 | Calculated Property |
| Pvap | 21.09 | kPa | 691.18 | Calculated Property |
| Pvap | 35.99 | kPa | 714.64 | Calculated Property |
| Pvap | 58.64 | kPa | 738.10 | Calculated Property |
| Pvap | 91.74 | kPa | 761.56 | Calculated Property |
| Pvap | 138.51 | kPa | 785.02 | Calculated Property |
| Pvap | 202.64 | kPa | 808.48 | Calculated Property |
Similar Compounds
Find more compounds similar to 2-Methylpentatriacontane.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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