- InChI
- InChI=1S/C24H32N2O2/c1-4-25(5-2)14-9-15-26(22-10-7-6-8-11-22)23-16-20-12-13-24(28-19(3)27)18-21(20)17-23/h6-8,10-13,18,23H,4-5,9,14-17H2,1-3H3
- InChI Key
- ZBKVUDHLNABUKM-UHFFFAOYSA-N
- Formula
- C24H32N2O2
- SMILES
-
CCN(CC)CCCN(c1ccccc1)C1Cc2ccc(
OC(C)=O)cc2C1 - Molecular Weight1
- 380.52
- 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 | 0.8809 | Relay (1.0) Calculated Property | |
| ΔfG° | 405.15 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -268.18 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 52.18 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 122.16 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.33 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.24 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.318 | Crippen Calculated Property | |
| McVol | 318.040 | ml/mol | McGowan Calculated Property |
| Pc | 1353.63 | kPa | Joback Calculated Property |
| Inp | 2850.00 | NIST | |
| Tboil | 708.29 | K | Relay (1.0) Calculated Property |
| Tc | 959.36 | K | Relay (1.0) Calculated Property |
| Tfus | 355.44 | K | Relay (1.0) Calculated Property |
| Vc | 1.149 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1041.38; 1130.61] | J/mol×K | [919.75; 1140.59] | 
|
| Cp,gas | 1041.38 | J/mol×K | 919.75 | Joback Calculated Property |
| Cp,gas | 1058.70 | J/mol×K | 956.56 | Joback Calculated Property |
| Cp,gas | 1074.89 | J/mol×K | 993.36 | Joback Calculated Property |
| Cp,gas | 1090.06 | J/mol×K | 1030.17 | Joback Calculated Property |
| Cp,gas | 1104.32 | J/mol×K | 1066.98 | Joback Calculated Property |
| Cp,gas | 1117.80 | J/mol×K | 1103.78 | Joback Calculated Property |
| Cp,gas | 1130.61 | J/mol×K | 1140.59 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to APRINDINE, M(HO-), AC.
Sources
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