- InChI
- InChI=1S/C57H116/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-49-51-53-55-57-56-54-52-50-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-57H2,1-2H3
- InChI Key
- LKRIKFXSOWDANL-UHFFFAOYSA-N
- Formula
- C57H116
- SMILES
-
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
CCCCCCCCCCCCCCCCCCCCCCCCCCC - Molecular Weight1
- 801.53
- CAS
- 5856-67-7
- 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).
- 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 | 2.1647 | Relay (1.0) Calculated Property | |
| ΔfG° | 429.06 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1222.07 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 143.39 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 282.55 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 11.27 | eV | Relay (1.0) Calculated Property |
| log10WS | -18.73 | Relay (1.0) Calculated Property | |
| logPoct/wat | 22.482 | Crippen Calculated Property | |
| McVol | 813.990 | ml/mol | McGowan Calculated Property |
| Pc | 223.43 | kPa | Joback Calculated Property |
| Tboil | 802.35 | K | Relay (1.0) Calculated Property |
| Tc | 948.95 | K | Relay (1.0) Calculated Property |
| Tfus | 369.70 ± 3.00 | K | NIST |
| Vc | 3.223 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | 158.90 | kJ/mol | 755.50 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1214.67; 2960.02] | 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 | -4.89250e+01 | |||
| Coefficient B | 5.41884e+00 | |||
| Coefficient C | -3.07700e-03 | |||
| Coefficient D | 6.67100e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 1214.67 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 1512.56 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 1779.55 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 2017.73 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 2229.21 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 2416.10 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 2580.52 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 2724.57 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 2850.37 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 2960.01 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0289774; 8.0101647e-08] | Pa×s | [369.70; 2219.12] |
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 | -1.88984e+01 | |||
| Coefficient B | 5.67756e+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. | 369.70 | |||
| Temperature range, max. | 2219.12 | |||
| η | 0.0289774 | Pa×s | 369.70 | Calculated Property |
| η | 0.0001200 | Pa×s | 575.19 | Calculated Property |
| η | 0.0000089 | Pa×s | 780.68 | Calculated Property |
| η | 0.0000020 | Pa×s | 986.17 | Calculated Property |
| η | 0.0000007 | Pa×s | 1191.66 | Calculated Property |
| η | 0.0000004 | Pa×s | 1397.15 | Calculated Property |
| η | 0.0000002 | Pa×s | 1602.64 | Calculated Property |
| η | 0.0000001 | Pa×s | 1808.14 | Calculated Property |
| η | 0.0000001 | Pa×s | 2013.63 | Calculated Property |
| η | 8.0101647e-08 | Pa×s | 2219.12 | Calculated Property |
Similar Compounds
Find more compounds similar to heptapentacontane.
Sources
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