- InChI
- InChI=1S/C70H142/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-49-51-53-55-57-59-61-63-65-67-69-70-68-66-64-62-60-58-56-54-52-50-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-70H2,1-2H3
- InChI Key
- IPMNAGMOJQBRJL-UHFFFAOYSA-N
- Formula
- C70H142
- SMILES
-
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC CCCCCCCCCC - Molecular Weight1
- 983.91
- 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 | 2.6211 | Relay (1.0) Calculated Property | |
| ΔfG° | 538.52 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1487.29 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 177.06 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 340.30 ± 0.30 | kJ/mol | NIST |
| IE | 11.78 | eV | Relay (1.0) Calculated Property |
| log10WS | -22.26 | Relay (1.0) Calculated Property | |
| logPoct/wat | 27.553 | Crippen Calculated Property | |
| McVol | 997.160 | ml/mol | McGowan Calculated Property |
| Pc | 158.70 | kPa | Joback Calculated Property |
| Tboil | 882.12 | K | Relay (1.0) Calculated Property |
| Tc | 1008.92 | K | Relay (1.0) Calculated Property |
| Tfus | [378.40; 381.90] | K |
|
| Tfus | 378.40 ± 1.50 | K | NIST |
| Tfus | 381.90 ± 3.00 | K | NIST |
| Vc | 3.918 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | [174.40; 340.30] | kJ/mol | [298.15; 796.00] |
|
| ΔvapH | 340.30 | 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 | 174.40 | kJ/mol | 796.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1490.44; 3630.70] | 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 | -6.07420e+01 | |||
| Coefficient B | 6.65384e+00 | |||
| Coefficient C | -3.78420e-03 | |||
| Coefficient D | 8.21800e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 1490.44 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 1856.00 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 2183.56 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 2475.71 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 2735.06 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 2964.20 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 3165.74 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 3342.27 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 3496.39 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 3630.70 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0439182; 1.1442536e-09] | Pa×s | [380.15; 9974.10] |
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 | -2.12805e+01 | |||
| Coefficient B | 6.90164e+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. | 380.15 | |||
| Temperature range, max. | 9974.10 | |||
| η | 0.0439182 | Pa×s | 380.15 | Calculated Property |
| η | 6.7710337e-08 | Pa×s | 1446.14 | Calculated Property |
| η | 8.9362238e-09 | Pa×s | 2512.14 | Calculated Property |
| η | 3.9417895e-09 | Pa×s | 3578.13 | Calculated Property |
| η | 2.5317150e-09 | Pa×s | 4644.13 | Calculated Property |
| η | 1.9183476e-09 | Pa×s | 5710.12 | Calculated Property |
| η | 1.5861677e-09 | Pa×s | 6776.11 | Calculated Property |
| η | 1.3810867e-09 | Pa×s | 7842.11 | Calculated Property |
| η | 1.2430350e-09 | Pa×s | 8908.10 | Calculated Property |
| η | 1.1442536e-09 | Pa×s | 9974.10 | Calculated Property |
Similar Compounds
Find more compounds similar to heptacontane.
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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