- InChI
- InChI=1S/C19H22O2/c20-19(21-14-15-7-2-1-3-8-15)13-17-11-6-10-16-9-4-5-12-18(16)17/h4-6,9-12,15H,1-3,7-8,13-14H2
- InChI Key
- PGDITAURKHRFTK-UHFFFAOYSA-N
- Formula
- C19H22O2
- SMILES
- O=C(Cc1cccc2ccccc12)OCC1CCCCC1
- Molecular Weight1
- 282.38
- 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).
- 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 |
|---|---|---|---|
| ω | 0.6519 | Relay (1.0) Calculated Property | |
| ΔfG° | 109.06 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -323.47 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 30.26 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 98.30 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.86 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.92 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.506 | Crippen Calculated Property | |
| McVol | 231.930 | ml/mol | McGowan Calculated Property |
| Pc | 2010.90 | kPa | Joback Calculated Property |
| Inp | 2825.00 | NIST | |
| Tboil | 686.18 | K | Relay (1.0) Calculated Property |
| Tc | 929.63 | K | Relay (1.0) Calculated Property |
| Tfus | 320.77 | K | Relay (1.0) Calculated Property |
| Vc | 0.834 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [695.14; 785.76] | J/mol×K | [780.60; 1020.26] | 
|
| Cp,gas | 695.14 | J/mol×K | 780.60 | Joback Calculated Property |
| Cp,gas | 713.65 | J/mol×K | 820.54 | Joback Calculated Property |
| Cp,gas | 730.67 | J/mol×K | 860.49 | Joback Calculated Property |
| Cp,gas | 746.30 | J/mol×K | 900.43 | Joback Calculated Property |
| Cp,gas | 760.63 | J/mol×K | 940.38 | Joback Calculated Property |
| Cp,gas | 773.75 | J/mol×K | 980.32 | Joback Calculated Property |
| Cp,gas | 785.76 | J/mol×K | 1020.26 | Joback Calculated Property |
| η | [0.0001677; 0.0013510] | Pa×s | [455.07; 780.60] |
|
| η | 0.0013510 | Pa×s | 455.07 | Joback Calculated Property |
| η | 0.0007929 | Pa×s | 509.32 | Joback Calculated Property |
| η | 0.0005156 | Pa×s | 563.58 | Joback Calculated Property |
| η | 0.0003616 | Pa×s | 617.84 | Joback Calculated Property |
| η | 0.0002686 | Pa×s | 672.09 | Joback Calculated Property |
| η | 0.0002085 | Pa×s | 726.35 | Joback Calculated Property |
| η | 0.0001677 | Pa×s | 780.60 | Joback Calculated Property |
Similar Compounds
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Sources
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