- InChI
- InChI=1S/C38H70/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-37-33-35-38(36-34-37)32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33-36H,3-32H2,1-2H3
- InChI Key
- IDQPYQHPNWSAFI-UHFFFAOYSA-N
- Formula
- C38H70
- SMILES
-
CCCCCCCCCCCCCCCCc1ccc(CCCCCCCC
CCCCCCCC)cc1 - Molecular Weight1
- 526.98
- 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 | 1.4454 | Relay (1.0) Calculated Property | |
| ΔfG° | 371.86 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -606.72 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 87.83 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 180.17 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.39 | eV | Relay (1.0) Calculated Property |
| log10WS | -12.65 | Relay (1.0) Calculated Property | |
| logPoct/wat | 13.734 | Crippen Calculated Property | |
| McVol | 522.520 | ml/mol | McGowan Calculated Property |
| Pc | 483.03 | kPa | Joback Calculated Property |
| Tboil | 726.26 | K | Relay (1.0) Calculated Property |
| Tc | 903.39 | K | Relay (1.0) Calculated Property |
| Tfus | 320.53 | K | Relay (1.0) Calculated Property |
| Vc | 2.054 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [756.90; 1858.22] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -5.12600e+01 | |||
| Coefficient B | 3.47544e+00 | |||
| Coefficient C | -2.00756e-03 | |||
| Coefficient D | 4.41600e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 756.90 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 946.56 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 1116.15 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 1267.04 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 1400.65 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1518.36 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1621.58 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1711.70 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1790.11 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1858.22 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0002301; 0.0000115] | Pa×s | [556.96; 979.65] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.53268e+01 | |||
| Coefficient B | 3.87068e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 556.96 | |||
| Temperature range, max. | 979.65 | |||
| η | 0.0002301 | Pa×s | 556.96 | Calculated Property |
| η | 0.0001340 | Pa×s | 603.93 | Calculated Property |
| η | 0.0000844 | Pa×s | 650.89 | Calculated Property |
| η | 0.0000566 | Pa×s | 697.86 | Calculated Property |
| η | 0.0000399 | Pa×s | 744.82 | Calculated Property |
| η | 0.0000293 | Pa×s | 791.79 | Calculated Property |
| η | 0.0000223 | Pa×s | 838.75 | Calculated Property |
| η | 0.0000174 | Pa×s | 885.72 | Calculated Property |
| η | 0.0000140 | Pa×s | 932.68 | Calculated Property |
| η | 0.0000115 | Pa×s | 979.65 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, 1,4-dihexadecyl-.
Sources
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