- InChI
- InChI=1S/C56H114/c1-6-8-10-12-14-16-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-35-37-40-44-50-55(4)52-47-53-56(5)51-46-42-38-41-45-49-54(3)48-43-39-36-34-17-15-13-11-9-7-2/h54-56H,6-53H2,1-5H3
- InChI Key
- GXOPJJNCCVVMDG-UHFFFAOYSA-N
- Formula
- C56H114
- SMILES
-
CCCCCCCCCCCCCCCCCCCCCCCCCCCCC(
C)CCCC(C)CCCCCCCC(C)CCCCCCCCCC CC - Molecular Weight1
- 787.50
- 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).
- 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).
- Inp : Non-polar retention indices.
- 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 | 1.9922 | Relay (1.0) Calculated Property | |
| ΔfG° | 413.32 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1251.00 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 130.23 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 256.58 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.82 | eV | Relay (1.0) Calculated Property |
| log10WS | -18.21 | Relay (1.0) Calculated Property | |
| logPoct/wat | 21.659 | Crippen Calculated Property | |
| McVol | 799.900 | ml/mol | McGowan Calculated Property |
| Pc | 231.67 | kPa | Joback Calculated Property |
| Inp | [5363.00; 5363.00] |
|
|
| Inp | 5363.00 | NIST | |
| Inp | 5363.00 | NIST | |
| Tboil | 803.48 | K | Relay (1.0) Calculated Property |
| Tc | 951.54 | K | Relay (1.0) Calculated Property |
| Tfus | 312.10 | K | Relay (1.0) Calculated Property |
| Vc | 3.085 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [3329.51; 5644.46] | J/mol×K | [1479.36; 2842.55] |
|
| Cp,gas | 3329.51 | J/mol×K | 1479.36 | Joback Calculated Property |
| Cp,gas | 3480.83 | J/mol×K | 1706.56 | Joback Calculated Property |
| Cp,gas | 3664.62 | J/mol×K | 1933.76 | Joback Calculated Property |
| Cp,gas | 3926.88 | J/mol×K | 2160.95 | Joback Calculated Property |
| Cp,gas | 4313.61 | J/mol×K | 2388.15 | Joback Calculated Property |
| Cp,gas | 4870.80 | J/mol×K | 2615.35 | Joback Calculated Property |
| Cp,gas | 5644.46 | J/mol×K | 2842.55 | Joback Calculated Property |
| η | [0.0000002; 0.0000228] | Pa×s | [675.88; 1479.36] |
|
| η | 0.0000228 | Pa×s | 675.88 | Joback Calculated Property |
| η | 0.0000056 | Pa×s | 809.79 | Joback Calculated Property |
| η | 0.0000021 | Pa×s | 943.71 | Joback Calculated Property |
| η | 0.0000010 | Pa×s | 1077.62 | Joback Calculated Property |
| η | 0.0000005 | Pa×s | 1211.53 | Joback Calculated Property |
| η | 0.0000003 | Pa×s | 1345.45 | Joback Calculated Property |
| η | 0.0000002 | Pa×s | 1479.36 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 13,21,25-Trimethyltripentacontane.
Sources
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