- InChI
- InChI=1S/C13H18INO/c1-3-4-5-6-13(16)15-12-8-7-10(2)9-11(12)14/h7-9H,3-6H2,1-2H3,(H,15,16)
- InChI Key
- OELSFTUIARSGFV-UHFFFAOYSA-N
- Formula
- C13H18INO
- SMILES
- CCCCCC(=O)Nc1ccc(C)cc1I
- Molecular Weight1
- 331.19
- 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 | 0.6764 | Relay (1.0) Calculated Property | |
| ΔfG° | 170.32 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -168.92 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 33.79 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 84.65 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.98 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.64 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.118 | Crippen Calculated Property | |
| McVol | 207.640 | ml/mol | McGowan Calculated Property |
| Pc | 2244.00 | kPa | Joback Calculated Property |
| Inp | 2199.00 | NIST | |
| Tboil | 613.62 | K | Relay (1.0) Calculated Property |
| Tc | 866.13 | K | Relay (1.0) Calculated Property |
| Tfus | 354.46 | K | Relay (1.0) Calculated Property |
| Vc | 0.720 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [521.18; 591.22] | J/mol×K | [730.66; 960.53] | 
|
| Cp,gas | 521.18 | J/mol×K | 730.66 | Joback Calculated Property |
| Cp,gas | 535.03 | J/mol×K | 768.97 | Joback Calculated Property |
| Cp,gas | 547.94 | J/mol×K | 807.28 | Joback Calculated Property |
| Cp,gas | 559.96 | J/mol×K | 845.59 | Joback Calculated Property |
| Cp,gas | 571.14 | J/mol×K | 883.91 | Joback Calculated Property |
| Cp,gas | 581.54 | J/mol×K | 922.22 | Joback Calculated Property |
| Cp,gas | 591.22 | J/mol×K | 960.53 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Hexanamide, N-(2-iodo-4-methylphenyl)-.
Sources
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