- InChI
- InChI=1S/C20H21NO/c1-21(2)13-5-8-19-18-7-4-3-6-15(18)9-10-16-11-12-17(22)14-20(16)19/h3-4,6-12,14,22H,5,13H2,1-2H3/b19-8-
- InChI Key
- UHLPYBQGKLHIFK-UWVJOHFNSA-N
- Formula
- C20H21NO
- SMILES
-
CN(C)CCC=C1c2ccccc2C=Cc2ccc(O)
cc21 - Molecular Weight1
- 291.39
- 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° | 423.12 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 111.16 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 42.27 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 82.35 | kJ/mol | Joback Calculated Property |
| log10WS | -4.65 | Crippen Calculated Property | |
| logPoct/wat | 4.259 | Crippen Calculated Property | |
| McVol | 241.530 | ml/mol | McGowan Calculated Property |
| Pc | 2202.08 | kPa | Joback Calculated Property |
| Inp | 2236.00 | NIST | |
| Tboil | 830.59 | K | Joback Calculated Property |
| Tc | 1070.96 | K | Joback Calculated Property |
| Tfus | 570.53 | K | Joback Calculated Property |
| Vc | 0.851 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [713.21; 801.79] | J/mol×K | [830.59; 1070.96] | 
|
| Cp,gas | 713.21 | J/mol×K | 830.59 | Joback Calculated Property |
| Cp,gas | 728.94 | J/mol×K | 870.65 | Joback Calculated Property |
| Cp,gas | 744.01 | J/mol×K | 910.71 | Joback Calculated Property |
| Cp,gas | 758.63 | J/mol×K | 950.77 | Joback Calculated Property |
| Cp,gas | 772.99 | J/mol×K | 990.84 | Joback Calculated Property |
| Cp,gas | 787.31 | J/mol×K | 1030.90 | Joback Calculated Property |
| Cp,gas | 801.79 | J/mol×K | 1070.96 | Joback Calculated Property |
Similar Compounds
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Sources
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