- InChI
- InChI=1S/C22H31NO/c1-3-5-7-8-11-18-23(17-6-4-2)22(24)21-16-12-14-19-13-9-10-15-20(19)21/h9-10,12-16H,3-8,11,17-18H2,1-2H3
- InChI Key
- YKXUMSNMIRCEJY-UHFFFAOYSA-N
- Formula
- C22H31NO
- SMILES
-
CCCCCCCN(CCCC)C(=O)c1cccc2cccc
c12 - Molecular Weight1
- 325.49
- 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 | 0.8963 | Relay (1.0) Calculated Property | |
| ΔfG° | 325.65 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -214.41 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 48.03 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 103.59 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.81 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.11 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.052 | Crippen Calculated Property | |
| McVol | 289.170 | ml/mol | McGowan Calculated Property |
| Pc | 1363.65 | kPa | Joback Calculated Property |
| Inp | [3121.00; 3121.00] |
|
|
| Inp | 3121.00 | NIST | |
| Inp | 3121.00 | NIST | |
| Tboil | 684.52 | K | Relay (1.0) Calculated Property |
| Tc | 921.49 | K | Relay (1.0) Calculated Property |
| Tfus | 312.40 | K | Relay (1.0) Calculated Property |
| Vc | 1.072 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [886.58; 978.49] | J/mol×K | [819.71; 1024.43] |
|
| Cp,gas | 886.58 | J/mol×K | 819.71 | Joback Calculated Property |
| Cp,gas | 904.20 | J/mol×K | 853.83 | Joback Calculated Property |
| Cp,gas | 920.78 | J/mol×K | 887.95 | Joback Calculated Property |
| Cp,gas | 936.41 | J/mol×K | 922.07 | Joback Calculated Property |
| Cp,gas | 951.19 | J/mol×K | 956.19 | Joback Calculated Property |
| Cp,gas | 965.18 | J/mol×K | 990.31 | Joback Calculated Property |
| Cp,gas | 978.49 | J/mol×K | 1024.43 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1-Naphthamide, N-butyl-N-heptyl-.
Sources
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