- InChI
- InChI=1S/C22H30N2/c1-3-23(4-2)15-10-16-24(21-13-6-5-7-14-21)22-17-19-11-8-9-12-20(19)18-22/h5-9,11-14,22H,3-4,10,15-18H2,1-2H3
- InChI Key
- NZLBHDRPUJLHCE-UHFFFAOYSA-N
- Formula
- C22H30N2
- SMILES
-
CCN(CC)CCCN(c1ccccc1)C1Cc2cccc
c2C1 - Molecular Weight1
- 322.49
- CAS
- 37640-71-4
- Other Names
-
- 1,3-Propanediamine, N-(2,3-dihydro-1H-inden-2-yl)-N',N'-diethyl-N-phenyl-
- N,N-Diethyl-N'-2-indanyl-N'-phenyl-1,3-propanediamine
- AC-1802
- Compd 99170
- Lilly 99170
- N-(2,3-Dihydro-1H-inden-2-yl)-N',N'-diethyl-N-phenyl-1,3-propanediamine
- 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 | 0.7020 | Relay (... Calculated Property | |
| ΔfG° | 631.86 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 138.76 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 44.61 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 108.44 | kJ/mol | Relay (... Calculated Property |
| IE | 7.58 | eV | Relay (... Calculated Property |
| log10WS | -4.01 | Relay (... Calculated Property | |
| logPoct/wat | 4.392 | Crippen Calculated Property | |
| McVol | 282.420 | ml/mol | McGowan Calculated Property |
| Pc | 1529.46 | kPa | Joback Calculated Property |
| Inp | [2460.00; 2480.00] |
|
|
| Inp | 2480.00 | NIST | |
| Inp | 2460.00 | NIST | |
| Tboil | 675.25 | K | Relay (... Calculated Property |
| Tc | 910.80 | K | Relay (... Calculated Property |
| Tfus | 327.18 | K | Relay (... Calculated Property |
| Vc | 1.030 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [871.85; 973.72] | J/mol×K | [792.72; 1009.27] |
|
| Cp,gas | 871.85 | J/mol×K | 792.72 | Joback Calculated Property |
| Cp,gas | 891.62 | J/mol×K | 828.81 | Joback Calculated Property |
| Cp,gas | 910.10 | J/mol×K | 864.90 | Joback Calculated Property |
| Cp,gas | 927.42 | J/mol×K | 900.99 | Joback Calculated Property |
| Cp,gas | 943.71 | J/mol×K | 937.08 | Joback Calculated Property |
| Cp,gas | 959.11 | J/mol×K | 973.18 | Joback Calculated Property |
| Cp,gas | 973.72 | J/mol×K | 1009.27 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Aprindine.
Sources
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