- InChI
- InChI=1S/C55H112/c1-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-38-40-43-47-51-55(4)53-49-45-41-44-48-52-54(3)50-46-42-39-37-16-14-12-10-8-6-2/h54-55H,5-53H2,1-4H3
- InChI Key
- MCDJTBAPKGLGCC-UHFFFAOYSA-N
- Formula
- C55H112
- SMILES
-
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
CCC(C)CCCCCCCC(C)CCCCCCCCCCCC - Molecular Weight1
- 773.48
- 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 | 1.9991 | Relay (1.0) Calculated Property | |
| ΔfG° | 407.34 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1209.95 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 131.16 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 259.93 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.97 | eV | Relay (1.0) Calculated Property |
| log10WS | -18.01 | Relay (1.0) Calculated Property | |
| logPoct/wat | 21.413 | Crippen Calculated Property | |
| McVol | 785.810 | ml/mol | McGowan Calculated Property |
| Pc | 238.00 | kPa | Joback Calculated Property |
| Inp | 5341.00 | NIST | |
| Tboil | 795.25 | K | Relay (1.0) Calculated Property |
| Tc | 947.63 | K | Relay (1.0) Calculated Property |
| Tfus | 323.92 | K | Relay (1.0) Calculated Property |
| Vc | 3.049 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [3257.28; 5169.73] | J/mol×K | [1457.12; 2734.17] | 
|
| Cp,gas | 3257.28 | J/mol×K | 1457.12 | Joback Calculated Property |
| Cp,gas | 3397.06 | J/mol×K | 1669.96 | Joback Calculated Property |
| Cp,gas | 3558.89 | J/mol×K | 1882.80 | Joback Calculated Property |
| Cp,gas | 3779.91 | J/mol×K | 2095.64 | Joback Calculated Property |
| Cp,gas | 4097.28 | J/mol×K | 2308.48 | Joback Calculated Property |
| Cp,gas | 4548.17 | J/mol×K | 2521.32 | Joback Calculated Property |
| Cp,gas | 5169.73 | J/mol×K | 2734.17 | Joback Calculated Property |
| η | [0.0000003; 0.0000245] | Pa×s | [679.61; 1457.12] |
|
| η | 0.0000245 | Pa×s | 679.61 | Joback Calculated Property |
| η | 0.0000066 | Pa×s | 809.19 | Joback Calculated Property |
| η | 0.0000026 | Pa×s | 938.78 | Joback Calculated Property |
| η | 0.0000012 | Pa×s | 1068.37 | Joback Calculated Property |
| η | 0.0000007 | Pa×s | 1197.95 | Joback Calculated Property |
| η | 0.0000005 | Pa×s | 1327.53 | Joback Calculated Property |
| η | 0.0000003 | Pa×s | 1457.12 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 13,21-Dimethyltripentacontane.
Sources
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