- InChI
- InChI=1S/C14H18N2O3/c1-2-14(11(17)15-13(19)16-12(14)18)10-6-4-8-3-5-9(10)7-8/h6,8-9H,2-5,7H2,1H3,(H2,15,16,17,18,19)
- InChI Key
- MKELYWOVSPVORM-UHFFFAOYSA-N
- Formula
- C14H18N2O3
- SMILES
-
CCC1(C2=CCC3CCC2C3)C(=O)NC(=O)
NC1=O - Molecular Weight1
- 262.31
- 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).
- 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 | 0.5805 | Relay (1.0) Calculated Property | |
| ΔfG° | 11.24 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -528.10 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 28.17 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 100.08 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.54 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.70 | Estimated Solubility | |
| logPoct/wat | 1.495 | Crippen Calculated Property | |
| McVol | 195.910 | ml/mol | McGowan Calculated Property |
| Pc | 2999.15 | kPa | Joback Calculated Property |
| Tboil | 624.25 | K | Relay (1.0) Calculated Property |
| Tc | 933.07 | K | Relay (1.0) Calculated Property |
| Tfus | 527.24 | K | Relay (1.0) Calculated Property |
| Vc | 0.681 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [667.03; 773.60] | J/mol×K | [866.23; 1146.26] | 
|
| Cp,gas | 667.03 | J/mol×K | 866.23 | Joback Calculated Property |
| Cp,gas | 687.51 | J/mol×K | 912.90 | Joback Calculated Property |
| Cp,gas | 706.77 | J/mol×K | 959.57 | Joback Calculated Property |
| Cp,gas | 724.90 | J/mol×K | 1006.25 | Joback Calculated Property |
| Cp,gas | 742.00 | J/mol×K | 1052.92 | Joback Calculated Property |
| Cp,gas | 758.20 | J/mol×K | 1099.59 | Joback Calculated Property |
| Cp,gas | 773.60 | J/mol×K | 1146.26 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Reposal.
Sources
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