- InChI
- InChI=1S/C52H106/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-49-51-52-50-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-52H2,1-2H3
- InChI Key
- HAIPLQZWDQVPPR-UHFFFAOYSA-N
- Formula
- C52H106
- SMILES
-
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
CCCCCCCCCCCCCCCCCCCCCC - Molecular Weight1
- 731.42
- 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).
- ΔfusH : Enthalpy of fusion at a given temperature (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).
- 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 | 1.9894 | Relay (1.0) Calculated Property | |
| ΔfG° | 386.96 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1120.04 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 130.44 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 261.80 ± 1.50 | kJ/mol | NIST |
| IE | 11.07 | eV | Relay (1.0) Calculated Property |
| log10WS | -17.37 | Relay (1.0) Calculated Property | |
| logPoct/wat | 20.531 | Crippen Calculated Property | |
| McVol | 743.540 | ml/mol | McGowan Calculated Property |
| Pc | 259.31 | kPa | Joback Calculated Property |
| Tboil | 771.67 | K | Relay (1.0) Calculated Property |
| Tc | 924.80 | K | Relay (1.0) Calculated Property |
| Tfus | 367.00 ± 5.00 | K | NIST |
| Vc | 2.955 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔfusH | 171.80 | kJ/mol | 366.70 | NIST |
| ΔvapH | [152.00; 261.80] | kJ/mol | [298.15; 736.00] | 
|
| ΔvapH | 261.80 | kJ/mol | 298.15 | Hypothetical Thermodynamic Properties: Vapor Pressures and Vaporization Enthalpies of the Even n-Alkanes from C40 to C76 at T = 298.15 K by Correlation-Gas Chromatography. Are the Vaporization Enthalpies a Linear Function of Carbon Number? |
| ΔvapH | 152.00 | kJ/mol | 736.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1108.60; 2702.06] | 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 | -4.43800e+01 | |||
| Coefficient B | 4.94384e+00 | |||
| Coefficient C | -2.80500e-03 | |||
| Coefficient D | 6.07600e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 1108.60 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 1380.47 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 1624.16 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 1841.58 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 2034.65 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 2205.30 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 2355.44 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 2487.00 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 2601.90 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 2702.06 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0222002; 0.0000003] | Pa×s | [367.00; 1688.40] |
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 | -1.79950e+01 | |||
| Coefficient B | 5.20676e+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. | 367.00 | |||
| Temperature range, max. | 1688.40 | |||
| η | 0.0222002 | Pa×s | 367.00 | Calculated Property |
| η | 0.0003852 | Pa×s | 513.82 | Calculated Property |
| η | 0.0000405 | Pa×s | 660.64 | Calculated Property |
| η | 0.0000097 | Pa×s | 807.47 | Calculated Property |
| η | 0.0000036 | Pa×s | 954.29 | Calculated Property |
| η | 0.0000017 | Pa×s | 1101.11 | Calculated Property |
| η | 0.0000010 | Pa×s | 1247.93 | Calculated Property |
| η | 0.0000006 | Pa×s | 1394.76 | Calculated Property |
| η | 0.0000004 | Pa×s | 1541.58 | Calculated Property |
| η | 0.0000003 | Pa×s | 1688.40 | Calculated Property |
Similar Compounds
Find more compounds similar to dopentacontane.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Hypothetical Thermodynamic Properties: Vapor Pressures and Vaporization Enthalpies of the Even n-Alkanes from C40 to C76 at T = 298.15 K by Correlation-Gas Chromatography. Are the Vaporization Enthalpies a Linear Function of Carbon Number?
- Joback Method
- McGowan Method
- NIST Webbook
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