- InChI
- InChI=1S/C18H19NO2/c1-2-4-16-14(3-1)7-9-15(19-16)8-5-13-6-10-17-18(11-13)21-12-20-17/h1-4,6,10-11,15,19H,5,7-9,12H2
- InChI Key
- UTJHHIWJBNBFJH-UHFFFAOYSA-N
- Formula
- C18H19NO2
- SMILES
-
c1ccc2c(c1)CCC(CCc1ccc3c(c1)OC
O3)N2 - Molecular Weight1
- 281.35
- 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).
- 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° | 329.19 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -42.61 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 47.94 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 78.28 | kJ/mol | Joback Calculated Property |
| log10WS | -4.95 | Crippen Calculated Property | |
| logPoct/wat | 3.775 | Crippen Calculated Property | |
| McVol | 216.960 | ml/mol | McGowan Calculated Property |
| Pc | 2490.03 | kPa | Joback Calculated Property |
| Tboil | 804.41 | K | Joback Calculated Property |
| Tc | 1060.21 | K | Joback Calculated Property |
| Tfus | 577.79 | K | Joback Calculated Property |
| Vc | 0.814 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [658.05; 744.01] | J/mol×K | [804.41; 1060.21] | 
|
| Cp,gas | 658.05 | J/mol×K | 804.41 | Joback Calculated Property |
| Cp,gas | 675.05 | J/mol×K | 847.04 | Joback Calculated Property |
| Cp,gas | 690.78 | J/mol×K | 889.68 | Joback Calculated Property |
| Cp,gas | 705.39 | J/mol×K | 932.31 | Joback Calculated Property |
| Cp,gas | 719.03 | J/mol×K | 974.95 | Joback Calculated Property |
| Cp,gas | 731.85 | J/mol×K | 1017.58 | Joback Calculated Property |
| Cp,gas | 744.01 | J/mol×K | 1060.21 | Joback Calculated Property |
Similar Compounds
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Sources
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