- InChI
- InChI=1S/C17H25NO3/c1-13(2)6-5-11-21-16(19)12-18(4)17(20)15-9-7-14(3)8-10-15/h7-10,13H,5-6,11-12H2,1-4H3
- InChI Key
- JSONAPCYIXTJPS-UHFFFAOYSA-N
- Formula
- C17H25NO3
- SMILES
-
Cc1ccc(C(=O)N(C)CC(=O)OCCCC(C)
C)cc1 - Molecular Weight1
- 291.39
- 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 | 0.7936 | Relay (1.0) Calculated Property | |
| ΔfG° | -59.46 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -579.07 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 37.32 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 90.63 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.41 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.75 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.046 | Crippen Calculated Property | |
| McVol | 245.620 | ml/mol | McGowan Calculated Property |
| Pc | 1708.95 | kPa | Joback Calculated Property |
| Inp | 2266.00 | NIST | |
| Tboil | 628.90 | K | Relay (1.0) Calculated Property |
| Tc | 826.68 | K | Relay (1.0) Calculated Property |
| Tfus | 313.98 | K | Relay (1.0) Calculated Property |
| Vc | 0.898 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [717.44; 799.04] | J/mol×K | [762.18; 964.50] | 
|
| Cp,gas | 717.44 | J/mol×K | 762.18 | Joback Calculated Property |
| Cp,gas | 733.54 | J/mol×K | 795.90 | Joback Calculated Property |
| Cp,gas | 748.59 | J/mol×K | 829.62 | Joback Calculated Property |
| Cp,gas | 762.63 | J/mol×K | 863.34 | Joback Calculated Property |
| Cp,gas | 775.70 | J/mol×K | 897.06 | Joback Calculated Property |
| Cp,gas | 787.82 | J/mol×K | 930.78 | Joback Calculated Property |
| Cp,gas | 799.04 | J/mol×K | 964.50 | Joback Calculated Property |
Similar Compounds
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Sources
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