- InChI
- InChI=1S/C18H22INO/c1-11-2-3-16(15(19)4-11)20-17(21)18-8-12-5-13(9-18)7-14(6-12)10-18/h2-4,12-14H,5-10H2,1H3,(H,20,21)
- InChI Key
- VEWJBCZAHONQLT-UHFFFAOYSA-N
- Formula
- C18H22INO
- SMILES
-
Cc1ccc(NC(=O)C23CC4CC(CC(C4)C2
)C3)c(I)c1 - Molecular Weight1
- 395.28
- ω : Acentric Factor.
- 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).
- 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 | 0.5958 | Relay (1.0) Calculated Property | |
| ΔfG° | 369.37 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -186.90 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 33.82 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 104.78 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.05 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.90 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.755 | Crippen Calculated Property | |
| McVol | 245.510 | ml/mol | McGowan Calculated Property |
| Pc | 2135.43 | kPa | Joback Calculated Property |
| Tboil | 683.73 | K | Relay (1.0) Calculated Property |
| Tc | 1012.07 | K | Relay (1.0) Calculated Property |
| Tfus | 491.96 | K | Relay (1.0) Calculated Property |
| Vc | 0.855 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [751.50; 880.30] | J/mol×K | [865.12; 1129.66] | 
|
| Cp,gas | 751.50 | J/mol×K | 865.12 | Joback Calculated Property |
| Cp,gas | 771.55 | J/mol×K | 909.21 | Joback Calculated Property |
| Cp,gas | 791.65 | J/mol×K | 953.30 | Joback Calculated Property |
| Cp,gas | 812.18 | J/mol×K | 997.39 | Joback Calculated Property |
| Cp,gas | 833.54 | J/mol×K | 1041.48 | Joback Calculated Property |
| Cp,gas | 856.12 | J/mol×K | 1085.57 | Joback Calculated Property |
| Cp,gas | 880.30 | J/mol×K | 1129.66 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1-Adamantanecarboxamide, N-(2-iodo-4-methylphenyl)-.
Sources
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