- InChI
- InChI=1S/C14H19NO3/c1-9-5-7-13(8-6-9)14(18-12(4)17)10(2)15-11(3)16/h5-8,10,14H,1-4H3,(H,15,16)/t10-,14-/m1/s1
- InChI Key
- MDKVMAGFHLGBBQ-QMTHXVAHSA-N
- Formula
- C14H19NO3
- SMILES
-
CC(=O)NC(C)C(OC(C)=O)c1ccc(C)c
c1 - Molecular Weight1
- 249.31
- 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 | 0.6316 | Relay (1.0) Calculated Property | |
| ΔfG° | -108.55 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -568.83 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 28.11 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 90.69 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.55 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.00 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.124 | Crippen Calculated Property | |
| McVol | 203.350 | ml/mol | McGowan Calculated Property |
| Pc | 2250.40 | kPa | Joback Calculated Property |
| Inp | [1900.00; 1900.00] |
|
|
| Inp | 1900.00 | NIST | |
| Inp | 1900.00 | NIST | |
| Tboil | 575.09 | K | Relay (1.0) Calculated Property |
| Tc | 797.66 | K | Relay (1.0) Calculated Property |
| Tfus | 351.22 | 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 | [568.21; 641.31] | J/mol×K | [730.83; 945.60] |
|
| Cp,gas | 568.21 | J/mol×K | 730.83 | Joback Calculated Property |
| Cp,gas | 582.84 | J/mol×K | 766.63 | Joback Calculated Property |
| Cp,gas | 596.46 | J/mol×K | 802.42 | Joback Calculated Property |
| Cp,gas | 609.09 | J/mol×K | 838.22 | Joback Calculated Property |
| Cp,gas | 620.76 | J/mol×K | 874.01 | Joback Calculated Property |
| Cp,gas | 631.49 | J/mol×K | 909.81 | Joback Calculated Property |
| Cp,gas | 641.31 | J/mol×K | 945.60 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Mephedrone M (nor-dihydro), threo, 2Ac.
Sources
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