- InChI
- InChI=1S/C50H102/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-49-50-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-50H2,1-2H3
- InChI Key
- PFLUOWJPZLHUEA-UHFFFAOYSA-N
- Formula
- C50H102
- SMILES
-
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
CCCCCCCCCCCCCCCCCCCC - Molecular Weight1
- 703.34
- CAS
- 6596-40-3
- 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).
- 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° | 370.12 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1075.33 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 125.26 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 252.50 ± 0.20 | kJ/mol | NIST |
| log10WS | -20.75 | Crippen Calculated Property | |
| logPoct/wat | 19.751 | Crippen Calculated Property | |
| McVol | 715.360 | ml/mol | McGowan Calculated Property |
| Pc | 276.12 | kPa | Joback Calculated Property |
| Tboil | 1343.40 | K | Joback Calculated Property |
| Tc | 2196.22 | K | Joback Calculated Property |
| Tfus | [365.30; 366.20] | K |
|
| Tfus | 365.30 ± 2.00 | K | NIST |
| Tfus | 365.30 ± 1.50 | K | NIST |
| Tfus | 366.20 ± 3.00 | K | NIST |
| Vc | 2.836 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [2893.25; 3577.43] | J/mol×K | [1343.40; 2196.22] |
|
| Cp,gas | 2893.25 | J/mol×K | 1343.40 | Joback Calculated Property |
| Cp,gas | 2983.29 | J/mol×K | 1485.54 | Joback Calculated Property |
| Cp,gas | 3069.52 | J/mol×K | 1627.67 | Joback Calculated Property |
| Cp,gas | 3161.98 | J/mol×K | 1769.81 | Joback Calculated Property |
| Cp,gas | 3270.75 | J/mol×K | 1911.95 | Joback Calculated Property |
| Cp,gas | 3405.88 | J/mol×K | 2054.08 | Joback Calculated Property |
| Cp,gas | 3577.43 | J/mol×K | 2196.22 | Joback Calculated Property |
| η | [0.0000009; 0.0000475] | Pa×s | [653.26; 1343.40] |
|
| η | 0.0000475 | Pa×s | 653.26 | Joback Calculated Property |
| η | 0.0000151 | Pa×s | 768.28 | Joback Calculated Property |
| η | 0.0000064 | Pa×s | 883.31 | Joback Calculated Property |
| η | 0.0000033 | Pa×s | 998.33 | Joback Calculated Property |
| η | 0.0000020 | Pa×s | 1113.35 | Joback Calculated Property |
| η | 0.0000013 | Pa×s | 1228.38 | Joback Calculated Property |
| η | 0.0000009 | Pa×s | 1343.40 | Joback Calculated Property |
| ΔfusH | [185.00; 185.00] | kJ/mol | [366.90; 366.90] |
|
| ΔfusH | 185.00 | kJ/mol | 366.90 | NIST |
| ΔfusH | 185.00 | kJ/mol | 366.90 | NIST |
| ΔvapH | 149.00 | kJ/mol | 727.50 | NIST |
Similar Compounds
Find more compounds similar to pentacontane.
Sources
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