- InChI
- InChI=1S/C46H94/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-46H2,1-2H3
- InChI Key
- PVQAQPUODMPGGG-UHFFFAOYSA-N
- Formula
- C46H94
- SMILES
-
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
CCCCCCCCCCCCCCCC - Molecular Weight1
- 647.24
- CAS
- 7098-24-0
- 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).
- ΔfusH : Enthalpy of fusion at a given temperature (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- ΔvapH : Enthalpy of vaporization at a given temperature (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).
- 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° | 336.44 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -992.77 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 114.90 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 233.30 | kJ/mol | NIST |
| log10WS | -19.08 | Crippen Calculated Property | |
| logPoct/wat | 18.191 | Crippen Calculated Property | |
| McVol | 659.000 | ml/mol | McGowan Calculated Property |
| Pc | 315.04 | kPa | Joback Calculated Property |
| Tboil | 1251.88 | K | Joback Calculated Property |
| Tc | 1856.15 | K | Joback Calculated Property |
| Tfus | [361.00; 361.00] | K |
|
| Tfus | 361.00 ± 4.00 | K | NIST |
| Tfus | 361.00 ± 2.00 | K | NIST |
| Vc | 2.611 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [2604.12; 2969.06] | J/mol×K | [1251.88; 1856.15] |
|
|
T(K) Ideal gas heat capacity (J/mol×K) 2600 2700 2800 2900 3000 1400 1600 1800 | ||||
| Cp,gas | 2604.12 | J/mol×K | 1251.88 | Joback Calculated Property |
| Cp,gas | 2669.35 | J/mol×K | 1352.59 | Joback Calculated Property |
| Cp,gas | 2728.43 | J/mol×K | 1453.30 | Joback Calculated Property |
| Cp,gas | 2784.66 | J/mol×K | 1554.01 | Joback Calculated Property |
| Cp,gas | 2841.31 | J/mol×K | 1654.72 | Joback Calculated Property |
| Cp,gas | 2901.69 | J/mol×K | 1755.44 | Joback Calculated Property |
| Cp,gas | 2969.06 | J/mol×K | 1856.15 | Joback Calculated Property |
| η | [0.0000018; 0.0000923] | Pa×s | [608.18; 1251.88] |
|
|
T(K) Dynamic viscosity (Pa×s) 0 2.00e-5 4.00e-5 6.00e-5 8.00e-5 1.00e-4 600 800 1000 1200 | ||||
| η | 0.0000923 | Pa×s | 608.18 | Joback Calculated Property |
| η | 0.0000294 | Pa×s | 715.46 | Joback Calculated Property |
| η | 0.0000126 | Pa×s | 822.75 | Joback Calculated Property |
| η | 0.0000066 | Pa×s | 930.03 | Joback Calculated Property |
| η | 0.0000039 | Pa×s | 1037.31 | Joback Calculated Property |
| η | 0.0000026 | Pa×s | 1144.60 | Joback Calculated Property |
| η | 0.0000018 | Pa×s | 1251.88 | Joback Calculated Property |
| ΔfusH | 151.40 | kJ/mol | 360.70 | NIST |
| ΔvapH | 142.80 | kJ/mol | 709.00 | NIST |
Similar Compounds
Find more compounds similar to Hexatetracontane.
Sources
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