- InChI
- InChI=1S/C17H20ClNO/c18-14-2-1-3-15(7-14)19-16(20)17-8-11-4-12(9-17)6-13(5-11)10-17/h1-3,7,11-13H,4-6,8-10H2,(H,19,20)
- InChI Key
- OWEPCGATVXVIDJ-UHFFFAOYSA-N
- Formula
- C17H20ClNO
- SMILES
-
O=C(Nc1cccc(Cl)c1)C12CC3CC(CC(
C3)C1)C2 - Molecular Weight1
- 289.80
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | 300.53 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -36.86 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 31.41 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 72.39 | kJ/mol | Joback Calculated Property |
| log10WS | -4.84 | Crippen Calculated Property | |
| logPoct/wat | 4.495 | Crippen Calculated Property | |
| McVol | 217.840 | ml/mol | McGowan Calculated Property |
| Pc | 2338.29 | kPa | Joback Calculated Property |
| Inp | [2532.00; 2532.00] |
|
|
| Inp | 2532.00 | NIST | |
| Inp | 2532.00 | NIST | |
| Tboil | 781.55 | K | Joback Calculated Property |
| Tc | 1030.94 | K | Joback Calculated Property |
| Tfus | 522.76 | K | Joback Calculated Property |
| Vc | 0.830 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [668.11; 778.12] | J/mol×K | [781.55; 1030.94] |
|
| Cp,gas | 668.11 | J/mol×K | 781.55 | Joback Calculated Property |
| Cp,gas | 686.93 | J/mol×K | 823.11 | Joback Calculated Property |
| Cp,gas | 705.13 | J/mol×K | 864.68 | Joback Calculated Property |
| Cp,gas | 723.04 | J/mol×K | 906.24 | Joback Calculated Property |
| Cp,gas | 740.96 | J/mol×K | 947.81 | Joback Calculated Property |
| Cp,gas | 759.21 | J/mol×K | 989.37 | Joback Calculated Property |
| Cp,gas | 778.12 | J/mol×K | 1030.94 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1-Adamantanecarboxamide, N-(3-chlorophenyl)-.
Sources
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