- InChI
- InChI=1S/C39H80/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-34-38(3)36-33-37-39(4)35-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h38-39H,5-37H2,1-4H3
- InChI Key
- JFFONUMNQVVGPB-UHFFFAOYSA-N
- Formula
- C39H80
- SMILES
-
CCCCCCCCCCCCCCCCC(C)CCCC(C)CCC
CCCCCCCCCCCCC - Molecular Weight1
- 549.07
- Other Names
-
- (S)17,21-dimethyl-heptatriacontane
- Heptatriacontane, 17,21-dimethyl-
- 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).
- 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 | 1.4399 | Relay (1.0) Calculated Property | |
| ΔfG° | 272.62 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -879.24 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 89.72 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 181.94 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.23 | eV | Relay (1.0) Calculated Property |
| log10WS | -13.66 | Relay (1.0) Calculated Property | |
| logPoct/wat | 15.172 | Crippen Calculated Property | |
| McVol | 560.370 | ml/mol | McGowan Calculated Property |
| Pc | 408.78 | kPa | Joback Calculated Property |
| Tboil | 696.66 | K | Relay (1.0) Calculated Property |
| Tc | 862.10 | K | Relay (1.0) Calculated Property |
| Tfus | 300.67 | K | Relay (1.0) Calculated Property |
| Vc | 2.183 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [2105.61; 2302.54] | J/mol×K | [1091.04; 1428.58] | 
|
| Cp,gas | 2105.61 | J/mol×K | 1091.04 | Joback Calculated Property |
| Cp,gas | 2145.51 | J/mol×K | 1147.30 | Joback Calculated Property |
| Cp,gas | 2181.93 | J/mol×K | 1203.55 | Joback Calculated Property |
| Cp,gas | 2215.36 | J/mol×K | 1259.81 | Joback Calculated Property |
| Cp,gas | 2246.29 | J/mol×K | 1316.07 | Joback Calculated Property |
| Cp,gas | 2275.19 | J/mol×K | 1372.33 | Joback Calculated Property |
| Cp,gas | 2302.54 | J/mol×K | 1428.58 | Joback Calculated Property |
| η | [0.0000048; 0.0003958] | Pa×s | [499.29; 1091.04] |
|
| η | 0.0003958 | Pa×s | 499.29 | Joback Calculated Property |
| η | 0.0001036 | Pa×s | 597.91 | Joback Calculated Property |
| η | 0.0000396 | Pa×s | 696.54 | Joback Calculated Property |
| η | 0.0000192 | Pa×s | 795.16 | Joback Calculated Property |
| η | 0.0000109 | Pa×s | 893.79 | Joback Calculated Property |
| η | 0.0000070 | Pa×s | 992.41 | Joback Calculated Property |
| η | 0.0000048 | Pa×s | 1091.04 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 17,21-Dimethylheptatriacontane.
Sources
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