- InChI
- InChI=1S/C18H22/c1-2-9-18(14-16-10-5-3-6-11-16)15-17-12-7-4-8-13-17/h3-8,10-13,18H,2,9,14-15H2,1H3
- InChI Key
- DNFPIDCPAFVRPK-UHFFFAOYSA-N
- Formula
- C18H22
- SMILES
- CCCC(Cc1ccccc1)Cc1ccccc1
- Molecular Weight1
- 238.37
- ω : Acentric Factor.
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- 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 | 0.5333 | Relay (1.0) Calculated Property | |
| ΔcH°liquid | -9811.00 | kJ/mol | NIST |
| ΔfG° | 323.06 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 63.35 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 26.94 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 85.77 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.36 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.96 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.888 | Crippen Calculated Property | |
| McVol | 216.960 | ml/mol | McGowan Calculated Property |
| Pc | 1930.44 | kPa | Joback Calculated Property |
| Tboil | 596.90 | K | Relay (1.0) Calculated Property |
| Tc | 810.30 | K | Relay (1.0) Calculated Property |
| Tfus | 253.72 | K | Relay (1.0) Calculated Property |
| Vc | 0.789 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [272.50; 711.45] | 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 | -8.29660e+01 | |||
| Coefficient B | 1.56192e+00 | |||
| Coefficient C | -1.02100e-03 | |||
| Coefficient D | 2.53500e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 272.50 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 353.04 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 423.77 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 485.49 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 539.00 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 585.10 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 624.59 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 658.28 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 686.97 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 711.45 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0028308; 0.0001410] | Pa×s | [330.46; 623.26] |
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 | -1.22522e+01 | |||
| Coefficient B | 2.10998e+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. | 330.46 | |||
| Temperature range, max. | 623.26 | |||
| η | 0.0028308 | Pa×s | 330.46 | Calculated Property |
| η | 0.0015973 | Pa×s | 362.99 | Calculated Property |
| η | 0.0009902 | Pa×s | 395.53 | Calculated Property |
| η | 0.0006602 | Pa×s | 428.06 | Calculated Property |
| η | 0.0004661 | Pa×s | 460.59 | Calculated Property |
| η | 0.0003445 | Pa×s | 493.13 | Calculated Property |
| η | 0.0002644 | Pa×s | 525.66 | Calculated Property |
| η | 0.0002092 | Pa×s | 558.20 | Calculated Property |
| η | 0.0001699 | Pa×s | 590.73 | Calculated Property |
| η | 0.0001410 | Pa×s | 623.26 | Calculated Property |
Similar Compounds
Find more compounds similar to 1,3-Diphenyl-2-propylpropane.
Sources
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