- InChI
- InChI=1S/C16H22ClNO3/c1-3-4-5-8-11-21-16(20)12(2)18-15(19)13-9-6-7-10-14(13)17/h6-7,9-10,12H,3-5,8,11H2,1-2H3,(H,18,19)
- InChI Key
- YVDQZPIEILVIER-UHFFFAOYSA-N
- Formula
- C16H22ClNO3
- SMILES
-
CCCCCCOC(=O)C(C)NC(=O)c1ccccc1
Cl - Molecular Weight1
- 311.80
- 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° | -101.20 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -473.44 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 41.01 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 80.48 | kJ/mol | Joback Calculated Property |
| log10WS | -4.82 | Crippen Calculated Property | |
| logPoct/wat | 3.582 | Crippen Calculated Property | |
| McVol | 243.770 | ml/mol | McGowan Calculated Property |
| Pc | 1818.50 | kPa | Joback Calculated Property |
| Inp | [2332.00; 2332.00] |
|
|
| Inp | 2332.00 | NIST | |
| Inp | 2332.00 | NIST | |
| Tboil | 814.46 | K | Joback Calculated Property |
| Tc | 1025.06 | K | Joback Calculated Property |
| Tfus | 498.69 | K | Joback Calculated Property |
| Vc | 0.931 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [703.43; 771.84] | J/mol×K | [814.46; 1025.06] |
|
| Cp,gas | 703.43 | J/mol×K | 814.46 | Joback Calculated Property |
| Cp,gas | 717.27 | J/mol×K | 849.56 | Joback Calculated Property |
| Cp,gas | 730.09 | J/mol×K | 884.66 | Joback Calculated Property |
| Cp,gas | 741.93 | J/mol×K | 919.76 | Joback Calculated Property |
| Cp,gas | 752.81 | J/mol×K | 954.86 | Joback Calculated Property |
| Cp,gas | 762.77 | J/mol×K | 989.96 | Joback Calculated Property |
| Cp,gas | 771.84 | J/mol×K | 1025.06 | Joback Calculated Property |
Similar Compounds
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Sources
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