- InChI
- InChI=1S/C15H22N2O/c1-3-17(4-2)14(18)15(10-13(15)11-16)12-8-6-5-7-9-12/h5-9,13H,3-4,10-11,16H2,1-2H3
- InChI Key
- GJJFMKBJSRMPLA-UHFFFAOYSA-N
- Formula
- C15H22N2O
- SMILES
- CCN(CC)C(=O)C1(c2ccccc2)CC1CN
- Molecular Weight1
- 246.35
- CAS
- 92623-85-3
- 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 | 0.5670 | Relay (1.0) Calculated Property | |
| ΔfG° | 283.69 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -74.35 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 31.37 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 82.93 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.67 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.22 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.771 | Crippen Calculated Property | |
| McVol | 209.120 | ml/mol | McGowan Calculated Property |
| Pc | 2340.56 | kPa | Joback Calculated Property |
| Inp | 1952.00 | NIST | |
| Tboil | 600.10 | K | Relay (1.0) Calculated Property |
| Tc | 834.18 | K | Relay (1.0) Calculated Property |
| Tfus | 346.04 | K | Relay (1.0) Calculated Property |
| Vc | 0.721 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [609.84; 704.64] | J/mol×K | [710.43; 933.82] | 
|
| Cp,gas | 609.84 | J/mol×K | 710.43 | Joback Calculated Property |
| Cp,gas | 627.16 | J/mol×K | 747.66 | Joback Calculated Property |
| Cp,gas | 643.63 | J/mol×K | 784.89 | Joback Calculated Property |
| Cp,gas | 659.42 | J/mol×K | 822.12 | Joback Calculated Property |
| Cp,gas | 674.73 | J/mol×K | 859.36 | Joback Calculated Property |
| Cp,gas | 689.74 | J/mol×K | 896.59 | Joback Calculated Property |
| Cp,gas | 704.64 | J/mol×K | 933.82 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Milnacipran.
Sources
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