- InChI
- InChI=1S/C42H86/c1-6-8-10-12-14-16-18-19-21-23-25-29-34-40(3)35-31-27-24-28-32-37-42(5)39-33-38-41(4)36-30-26-22-20-17-15-13-11-9-7-2/h40-42H,6-39H2,1-5H3
- InChI Key
- NWIMSRORDSPQHY-UHFFFAOYSA-N
- Formula
- C42H86
- SMILES
-
CCCCCCCCCCCCCCC(C)CCCCCCCC(C)C
CCC(C)CCCCCCCCCCCC - Molecular Weight1
- 591.13
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | 295.44 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -926.05 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 93.97 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 107.92 | kJ/mol | Joback Calculated Property |
| log10WS | -16.68 | Crippen Calculated Property | |
| logPoct/wat | 16.198 | Crippen Calculated Property | |
| McVol | 602.640 | ml/mol | McGowan Calculated Property |
| Pc | 366.15 | kPa | Joback Calculated Property |
| Inp | 3980.00 | NIST | |
| Tboil | 1159.04 | K | Joback Calculated Property |
| Tc | 1569.41 | K | Joback Calculated Property |
| Tfus | 518.10 | K | Joback Calculated Property |
| Vc | 2.369 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [2317.43; 2545.81] | J/mol×K | [1159.04; 1569.41] | 
|
| Cp,gas | 2317.43 | J/mol×K | 1159.04 | Joback Calculated Property |
| Cp,gas | 2363.53 | J/mol×K | 1227.44 | Joback Calculated Property |
| Cp,gas | 2405.17 | J/mol×K | 1295.83 | Joback Calculated Property |
| Cp,gas | 2443.29 | J/mol×K | 1364.23 | Joback Calculated Property |
| Cp,gas | 2478.81 | J/mol×K | 1432.62 | Joback Calculated Property |
| Cp,gas | 2512.67 | J/mol×K | 1501.02 | Joback Calculated Property |
| Cp,gas | 2545.81 | J/mol×K | 1569.41 | Joback Calculated Property |
| η | [0.0000026; 0.0002834] | Pa×s | [518.10; 1159.04] |
|
| η | 0.0002834 | Pa×s | 518.10 | Joback Calculated Property |
| η | 0.0000668 | Pa×s | 624.92 | Joback Calculated Property |
| η | 0.0000240 | Pa×s | 731.75 | Joback Calculated Property |
| η | 0.0000112 | Pa×s | 838.57 | Joback Calculated Property |
| η | 0.0000062 | Pa×s | 945.39 | Joback Calculated Property |
| η | 0.0000039 | Pa×s | 1052.22 | Joback Calculated Property |
| η | 0.0000026 | Pa×s | 1159.04 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 13,17,25-trimethyl-nonatriacontane.
Sources
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