- InChI
- InChI=1S/C18H14INO/c1-12-9-10-17(16(19)11-12)20-18(21)15-8-4-6-13-5-2-3-7-14(13)15/h2-11H,1H3,(H,20,21)
- InChI Key
- NTNUZQYVQIVDHA-UHFFFAOYSA-N
- Formula
- C18H14INO
- SMILES
-
Cc1ccc(NC(=O)c2cccc3ccccc23)c(
I)c1 - Molecular Weight1
- 387.21
- 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).
- 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 | 0.6772 | Relay (1.0) Calculated Property | |
| ΔfG° | 421.85 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 130.25 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 37.41 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 116.56 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.72 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.95 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.005 | Crippen Calculated Property | |
| McVol | 234.870 | ml/mol | McGowan Calculated Property |
| Pc | 2426.65 | kPa | Joback Calculated Property |
| Inp | 3023.00 | NIST | |
| Tboil | 711.98 | K | Relay (1.0) Calculated Property |
| Tc | 1075.76 | K | Relay (1.0) Calculated Property |
| Tfus | 449.01 | K | Relay (1.0) Calculated Property |
| Vc | 0.808 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [619.30; 683.23] | J/mol×K | [895.70; 1169.94] | 
|
| Cp,gas | 619.30 | J/mol×K | 895.70 | Joback Calculated Property |
| Cp,gas | 631.60 | J/mol×K | 941.41 | Joback Calculated Property |
| Cp,gas | 643.01 | J/mol×K | 987.11 | Joback Calculated Property |
| Cp,gas | 653.70 | J/mol×K | 1032.82 | Joback Calculated Property |
| Cp,gas | 663.86 | J/mol×K | 1078.53 | Joback Calculated Property |
| Cp,gas | 673.64 | J/mol×K | 1124.23 | Joback Calculated Property |
| Cp,gas | 683.23 | J/mol×K | 1169.94 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1-Naphthalenecarboxamide, N-(2-iodo-4-methylphenyl)-.
Sources
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