- InChI
- InChI=1S/C18H29NO/c1-3-5-7-8-9-15-19-18(20)17-13-11-16(12-14-17)10-6-4-2/h11-14H,3-10,15H2,1-2H3,(H,19,20)
- InChI Key
- QKBLZZGDRVXPOG-UHFFFAOYSA-N
- Formula
- C18H29NO
- SMILES
- CCCCCCCNC(=O)c1ccc(CCCC)cc1
- Molecular Weight1
- 275.43
- 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 | 0.8650 | Relay (1.0) Calculated Property | |
| ΔfG° | 163.93 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -341.23 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 42.73 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 96.88 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.75 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.62 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.729 | Crippen Calculated Property | |
| McVol | 252.270 | ml/mol | McGowan Calculated Property |
| Pc | 1533.06 | kPa | Joback Calculated Property |
| Inp | [2412.00; 2412.00] |
|
|
| Inp | 2412.00 | NIST | |
| Inp | 2412.00 | NIST | |
| Tboil | 627.87 | K | Relay (1.0) Calculated Property |
| Tc | 846.25 | K | Relay (1.0) Calculated Property |
| Tfus | 310.19 | K | Relay (1.0) Calculated Property |
| Vc | 0.944 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [741.56; 831.54] | J/mol×K | [746.94; 942.29] |
|
| Cp,gas | 741.56 | J/mol×K | 746.94 | Joback Calculated Property |
| Cp,gas | 758.91 | J/mol×K | 779.50 | Joback Calculated Property |
| Cp,gas | 775.26 | J/mol×K | 812.06 | Joback Calculated Property |
| Cp,gas | 790.65 | J/mol×K | 844.61 | Joback Calculated Property |
| Cp,gas | 805.14 | J/mol×K | 877.17 | Joback Calculated Property |
| Cp,gas | 818.75 | J/mol×K | 909.73 | Joback Calculated Property |
| Cp,gas | 831.54 | J/mol×K | 942.29 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, 4-butyl-N-heptyl-.
Sources
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