- InChI
- InChI=1S/C19H29NO/c1-4-16(5-2)9-8-12-20(15(3)21)19-13-17-10-6-7-11-18(17)14-19/h6-7,10-11,16,19H,4-5,8-9,12-14H2,1-3H3
- InChI Key
- KNJRAWJGBHUARB-UHFFFAOYSA-N
- Formula
- C19H29NO
- SMILES
-
CCC(CC)CCCN(C(C)=O)C1Cc2ccccc2
C1 - Molecular Weight1
- 287.44
- 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 | 0.6834 | Relay (1.0) Calculated Property | |
| ΔfG° | 252.05 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -280.56 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 37.85 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 100.29 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.51 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.18 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.219 | Crippen Calculated Property | |
| McVol | 255.500 | ml/mol | McGowan Calculated Property |
| Pc | 1565.99 | kPa | Joback Calculated Property |
| Inp | [2300.00; 2300.00] |
|
|
| Inp | 2300.00 | NIST | |
| Inp | 2300.00 | NIST | |
| Tboil | 635.07 | K | Relay (1.0) Calculated Property |
| Tc | 864.52 | K | Relay (1.0) Calculated Property |
| Tfus | 324.76 | K | Relay (1.0) Calculated Property |
| Vc | 0.922 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [764.73; 862.85] | J/mol×K | [738.39; 941.68] |
|
| Cp,gas | 764.73 | J/mol×K | 738.39 | Joback Calculated Property |
| Cp,gas | 783.67 | J/mol×K | 772.27 | Joback Calculated Property |
| Cp,gas | 801.47 | J/mol×K | 806.15 | Joback Calculated Property |
| Cp,gas | 818.21 | J/mol×K | 840.04 | Joback Calculated Property |
| Cp,gas | 833.97 | J/mol×K | 873.92 | Joback Calculated Property |
| Cp,gas | 848.82 | J/mol×K | 907.80 | Joback Calculated Property |
| Cp,gas | 862.85 | J/mol×K | 941.68 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to APRINDINE, M (DESPHENYL-), AC.
Sources
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