- InChI
- InChI=1S/C39H80/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-27-32-38(4)33-28-25-23-26-29-34-39(5)36-30-35-37(3)31-7-2/h37-39H,6-36H2,1-5H3
- InChI Key
- GTXOPNHRSUDVBS-UHFFFAOYSA-N
- Formula
- C39H80
- SMILES
-
CCCCCCCCCCCCCCCCCCCCC(C)CCCCCC
CC(C)CCCC(C)CCC - Molecular Weight1
- 549.05
- 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° | 270.18 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -864.13 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 86.20 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 101.24 | kJ/mol | Joback Calculated Property |
| log10WS | -15.42 | Crippen Calculated Property | |
| logPoct/wat | 15.028 | Crippen Calculated Property | |
| McVol | 560.370 | ml/mol | McGowan Calculated Property |
| Pc | 410.11 | kPa | Joback Calculated Property |
| Inp | [3715.00; 3720.00] |
|
|
| Inp | 3715.00 | NIST | |
| Inp | 3720.00 | NIST | |
| Inp | 3720.00 | NIST | |
| Inp | 3715.00 | NIST | |
| Inp | 3715.00 | NIST | |
| Inp | 3720.00 | NIST | |
| Tboil | 1090.40 | K | Joback Calculated Property |
| Tc | 1421.58 | K | Joback Calculated Property |
| Tfus | 484.29 | K | Joback Calculated Property |
| Vc | 2.201 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [2105.46; 2298.04] | J/mol×K | [1090.40; 1421.58] |
|
| Cp,gas | 2105.46 | J/mol×K | 1090.40 | Joback Calculated Property |
| Cp,gas | 2144.50 | J/mol×K | 1145.60 | Joback Calculated Property |
| Cp,gas | 2180.17 | J/mol×K | 1200.79 | Joback Calculated Property |
| Cp,gas | 2212.89 | J/mol×K | 1255.99 | Joback Calculated Property |
| Cp,gas | 2243.14 | J/mol×K | 1311.19 | Joback Calculated Property |
| Cp,gas | 2271.37 | J/mol×K | 1366.39 | Joback Calculated Property |
| Cp,gas | 2298.04 | J/mol×K | 1421.58 | Joback Calculated Property |
| η | [0.0000044; 0.0004814] | Pa×s | [484.29; 1090.40] |
|
| η | 0.0004814 | Pa×s | 484.29 | Joback Calculated Property |
| η | 0.0001118 | Pa×s | 585.31 | Joback Calculated Property |
| η | 0.0000399 | Pa×s | 686.33 | Joback Calculated Property |
| η | 0.0000186 | Pa×s | 787.35 | Joback Calculated Property |
| η | 0.0000103 | Pa×s | 888.36 | Joback Calculated Property |
| η | 0.0000064 | Pa×s | 989.38 | Joback Calculated Property |
| η | 0.0000044 | Pa×s | 1090.40 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4,8,16-trimethyl-hexatriacontane.
Sources
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