- 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 | 1007.47 | 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 | 3.917 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [4449.12; 1703174.42] | J/mol×K | [1801.00; 14247.13] |
|
| Cp,gas | 4449.12 | J/mol×K | 1801.00 | Joback Calculated Property |
| Cp,gas | 16722.73 | J/mol×K | 3875.35 | Joback Calculated Property |
| Cp,gas | 78653.21 | J/mol×K | 5949.71 | Joback Calculated Property |
| Cp,gas | 234252.10 | J/mol×K | 8024.06 | Joback Calculated Property |
| Cp,gas | 527530.91 | J/mol×K | 10098.42 | Joback Calculated Property |
| Cp,gas | 1002501.17 | J/mol×K | 12172.77 | Joback Calculated Property |
| Cp,gas | 1703174.42 | J/mol×K | 14247.13 | Joback Calculated Property |
| η | [2.6440890e-08; 0.0000015] | Pa×s | [878.66; 1801.00] |
|
| η | 0.0000015 | Pa×s | 878.66 | Joback Calculated Property |
| η | 0.0000005 | Pa×s | 1032.38 | Joback Calculated Property |
| η | 0.0000002 | Pa×s | 1186.11 | Joback Calculated Property |
| η | 9.8882009e-08 | Pa×s | 1339.83 | Joback Calculated Property |
| η | 5.8192086e-08 | Pa×s | 1493.55 | Joback Calculated Property |
| η | 3.7808105e-08 | Pa×s | 1647.28 | Joback Calculated Property |
| η | 2.6440890e-08 | Pa×s | 1801.00 | Joback Calculated Property |
| 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 |
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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