- InChI
- InChI=1S/C19H19NO/c1-20-12-4-7-18-17-6-3-2-5-14(17)8-9-15-10-11-16(21)13-19(15)18/h2-3,5-11,13,20-21H,4,12H2,1H3/b18-7-
- InChI Key
- PTFFXHUUCUKLPG-WSVATBPTSA-N
- Formula
- C19H19NO
- SMILES
-
CNCCC=C1c2ccccc2C=Cc2ccc(O)cc2
1 - Molecular Weight1
- 277.36
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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° | 393.31 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 117.74 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 41.76 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 84.52 | kJ/mol | Joback Calculated Property |
| log10WS | -4.86 | Crippen Calculated Property | |
| logPoct/wat | 3.917 | Crippen Calculated Property | |
| McVol | 227.440 | ml/mol | McGowan Calculated Property |
| Pc | 2450.74 | kPa | Joback Calculated Property |
| Inp | 2670.00 | NIST | |
| Tboil | 845.44 | K | Joback Calculated Property |
| Tc | 1090.97 | K | Joback Calculated Property |
| Tfus | 579.45 | K | Joback Calculated Property |
| Vc | 0.811 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [670.04; 754.37] | J/mol×K | [845.44; 1090.97] | 
|
| Cp,gas | 670.04 | J/mol×K | 845.44 | Joback Calculated Property |
| Cp,gas | 684.81 | J/mol×K | 886.36 | Joback Calculated Property |
| Cp,gas | 699.02 | J/mol×K | 927.28 | Joback Calculated Property |
| Cp,gas | 712.88 | J/mol×K | 968.20 | Joback Calculated Property |
| Cp,gas | 726.59 | J/mol×K | 1009.13 | Joback Calculated Property |
| Cp,gas | 740.35 | J/mol×K | 1050.05 | Joback Calculated Property |
| Cp,gas | 754.37 | J/mol×K | 1090.97 | Joback Calculated Property |
Similar Compounds
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Sources
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