- InChI
- InChI=1S/C45H92/c1-7-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-25-29-36-43(4)37-30-26-24-27-31-38-44(5)40-34-41-45(6)39-33-28-32-35-42(3)8-2/h42-45H,7-41H2,1-6H3
- InChI Key
- IIYQIUSBGUSTTJ-UHFFFAOYSA-N
- Formula
- C45H92
- SMILES
-
CCCCCCCCCCCCCCCCCCCCC(C)CCCCCC
CC(C)CCCC(C)CCCCCC(C)CC - Molecular Weight1
- 633.21
- 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° | 318.26 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -993.25 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 98.21 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 114.21 | kJ/mol | Joback Calculated Property |
| log10WS | -17.69 | Crippen Calculated Property | |
| logPoct/wat | 17.224 | Crippen Calculated Property | |
| McVol | 644.910 | ml/mol | McGowan Calculated Property |
| Pc | 329.86 | kPa | Joback Calculated Property |
| Inp | 4244.00 | NIST | |
| Tboil | 1227.24 | K | Joback Calculated Property |
| Tc | 1732.33 | K | Joback Calculated Property |
| Tfus | 536.91 | K | Joback Calculated Property |
| Vc | 2.531 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [2530.47; 2810.54] | J/mol×K | [1227.24; 1732.33] | 
|
| Cp,gas | 2530.47 | J/mol×K | 1227.24 | Joback Calculated Property |
| Cp,gas | 2584.46 | J/mol×K | 1311.42 | Joback Calculated Property |
| Cp,gas | 2633.03 | J/mol×K | 1395.60 | Joback Calculated Property |
| Cp,gas | 2678.06 | J/mol×K | 1479.78 | Joback Calculated Property |
| Cp,gas | 2721.40 | J/mol×K | 1563.97 | Joback Calculated Property |
| Cp,gas | 2764.94 | J/mol×K | 1648.15 | Joback Calculated Property |
| Cp,gas | 2810.54 | J/mol×K | 1732.33 | Joback Calculated Property |
| η | [0.0000014; 0.0001974] | Pa×s | [536.91; 1227.24] |
|
| η | 0.0001974 | Pa×s | 536.91 | Joback Calculated Property |
| η | 0.0000421 | Pa×s | 651.96 | Joback Calculated Property |
| η | 0.0000143 | Pa×s | 767.02 | Joback Calculated Property |
| η | 0.0000064 | Pa×s | 882.08 | Joback Calculated Property |
| η | 0.0000035 | Pa×s | 997.13 | Joback Calculated Property |
| η | 0.0000021 | Pa×s | 1112.18 | Joback Calculated Property |
| η | 0.0000014 | Pa×s | 1227.24 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3,9,13,21-tetramethylhentetracontane.
Sources
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