- InChI
- InChI=1S/C14H21NO2/c1-3-4-5-6-10-15-14(16)12-8-7-9-13(11-12)17-2/h7-9,11H,3-6,10H2,1-2H3,(H,15,16)
- InChI Key
- RKCRYGKOWXQTLP-UHFFFAOYSA-N
- Formula
- C14H21NO2
- SMILES
- CCCCCCNC(=O)c1cccc(OC)c1
- Molecular Weight1
- 235.32
- 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 | 0.7601 | Relay (... Calculated Property | |
| ΔfG° | 25.25 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -349.06 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 33.55 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 87.22 | kJ/mol | Relay (... Calculated Property |
| IE | 8.37 | eV | Relay (... Calculated Property |
| log10WS | -4.10 | Relay (... Calculated Property | |
| logPoct/wat | 3.005 | Crippen Calculated Property | |
| McVol | 201.780 | ml/mol | McGowan Calculated Property |
| Pc | 2090.75 | kPa | Joback Calculated Property |
| Inp | [2124.00; 2124.00] |
|
|
| Inp | 2124.00 | NIST | |
| Inp | 2124.00 | NIST | |
| Tboil | 606.91 | K | Relay (... Calculated Property |
| Tc | 820.12 | K | Relay (... Calculated Property |
| Tfus | 314.99 | K | Relay (... Calculated Property |
| Vc | 0.738 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [549.06; 629.90] | J/mol×K | [677.84; 879.21] |
|
| Cp,gas | 549.06 | J/mol×K | 677.84 | Joback Calculated Property |
| Cp,gas | 564.72 | J/mol×K | 711.40 | Joback Calculated Property |
| Cp,gas | 579.47 | J/mol×K | 744.96 | Joback Calculated Property |
| Cp,gas | 593.34 | J/mol×K | 778.52 | Joback Calculated Property |
| Cp,gas | 606.36 | J/mol×K | 812.08 | Joback Calculated Property |
| Cp,gas | 618.53 | J/mol×K | 845.65 | Joback Calculated Property |
| Cp,gas | 629.90 | J/mol×K | 879.21 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, 3-methoxy-N-hexyl-.
Sources
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