- InChI
- InChI=1S/C67H136/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-49-51-53-55-57-59-61-63-65-67-66-64-62-60-58-56-54-52-50-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-67H2,1-2H3
- InChI Key
- UCWJLUYVHHOFDC-UHFFFAOYSA-N
- Formula
- C67H136
- SMILES
-
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC CCCCCCC - Molecular Weight1
- 941.80
- CAS
- 7719-90-6
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | 513.26 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1426.21 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 169.29 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 164.74 | kJ/mol | Joback Calculated Property |
| log10WS | -27.87 | Crippen Calculated Property | |
| logPoct/wat | 26.383 | Crippen Calculated Property | |
| McVol | 954.890 | ml/mol | McGowan Calculated Property |
| Pc | 170.87 | kPa | Joback Calculated Property |
| Tboil | 1732.36 | K | Joback Calculated Property |
| Tc | 7967.78 | K | Joback Calculated Property |
| Tfus | 377.30 ± 3.00 | K | NIST |
| Vc | 3.788 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [4195.11; 218446.38] | J/mol×K | [1732.36; 7967.78] | 
|
| Cp,gas | 4195.11 | J/mol×K | 1732.36 | Joback Calculated Property |
| Cp,gas | 6514.86 | J/mol×K | 2771.60 | Joback Calculated Property |
| Cp,gas | 15131.64 | J/mol×K | 3810.83 | Joback Calculated Property |
| Cp,gas | 35339.31 | J/mol×K | 4850.07 | Joback Calculated Property |
| Cp,gas | 72431.75 | J/mol×K | 5889.31 | Joback Calculated Property |
| Cp,gas | 131702.82 | J/mol×K | 6928.54 | Joback Calculated Property |
| Cp,gas | 218446.38 | J/mol×K | 7967.78 | Joback Calculated Property |
| η | [4.5466557e-08; 0.0000025] | Pa×s | [844.85; 1732.36] |
|
| η | 0.0000025 | Pa×s | 844.85 | Joback Calculated Property |
| η | 0.0000008 | Pa×s | 992.77 | Joback Calculated Property |
| η | 0.0000003 | Pa×s | 1140.69 | Joback Calculated Property |
| η | 0.0000002 | Pa×s | 1288.61 | Joback Calculated Property |
| η | 9.9867966e-08 | Pa×s | 1436.52 | Joback Calculated Property |
| η | 6.4954245e-08 | Pa×s | 1584.44 | Joback Calculated Property |
| η | 4.5466557e-08 | Pa×s | 1732.36 | Joback Calculated Property |
| ΔvapH | 170.90 | kJ/mol | 798.00 | NIST |
Similar Compounds
Find more compounds similar to heptahexacontane.
Sources
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