- InChI
- InChI=1S/C42H86/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42(3)41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h42H,4-41H2,1-3H3
- InChI Key
- JJPCBMIUAYWSEL-UHFFFAOYSA-N
- Formula
- C42H86
- SMILES
-
CCCCCCCCCCCCCCCCCCCCC(C)CCCCCC
CCCCCCCCCCCCCC - 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° | 300.32 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -915.49 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 101.01 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 108.70 | kJ/mol | Joback Calculated Property |
| log10WS | -17.16 | Crippen Calculated Property | |
| logPoct/wat | 16.486 | Crippen Calculated Property | |
| McVol | 602.640 | ml/mol | McGowan Calculated Property |
| Pc | 363.92 | kPa | Joback Calculated Property |
| Inp | 4113.00 | NIST | |
| Tboil | 1159.92 | K | Joback Calculated Property |
| Tc | 1588.64 | K | Joback Calculated Property |
| Tfus | 548.10 | K | Joback Calculated Property |
| Vc | 2.381 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [2317.86; 2559.84] | J/mol×K | [1159.92; 1588.64] | 
|
| Cp,gas | 2317.86 | J/mol×K | 1159.92 | Joback Calculated Property |
| Cp,gas | 2366.40 | J/mol×K | 1231.37 | Joback Calculated Property |
| Cp,gas | 2410.23 | J/mol×K | 1302.83 | Joback Calculated Property |
| Cp,gas | 2450.42 | J/mol×K | 1374.28 | Joback Calculated Property |
| Cp,gas | 2488.04 | J/mol×K | 1445.73 | Joback Calculated Property |
| Cp,gas | 2524.16 | J/mol×K | 1517.18 | Joback Calculated Property |
| Cp,gas | 2559.84 | J/mol×K | 1588.64 | Joback Calculated Property |
| η | [0.0000032; 0.0002032] | Pa×s | [548.10; 1159.92] |
|
| η | 0.0002032 | Pa×s | 548.10 | Joback Calculated Property |
| η | 0.0000593 | Pa×s | 650.07 | Joback Calculated Property |
| η | 0.0000242 | Pa×s | 752.04 | Joback Calculated Property |
| η | 0.0000122 | Pa×s | 854.01 | Joback Calculated Property |
| η | 0.0000071 | Pa×s | 955.98 | Joback Calculated Property |
| η | 0.0000046 | Pa×s | 1057.95 | Joback Calculated Property |
| η | 0.0000032 | Pa×s | 1159.92 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 21-methylhentetracontane.
Sources
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