- InChI
- InChI=1S/C14H13ClO2/c15-9-3-6-14(16)17-13-8-7-11-4-1-2-5-12(11)10-13/h1-2,4-5,7-8,10H,3,6,9H2
- InChI Key
- KNSGPNGISXLZHO-UHFFFAOYSA-N
- Formula
- C14H13ClO2
- SMILES
- O=C(CCCCl)Oc1ccc2ccccc2c1
- Molecular Weight1
- 248.71
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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° | 30.58 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -176.70 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 29.67 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.88 | kJ/mol | Joback Calculated Property |
| log10WS | -4.58 | Crippen Calculated Property | |
| logPoct/wat | 3.764 | Crippen Calculated Property | |
| McVol | 184.580 | ml/mol | McGowan Calculated Property |
| Pc | 2520.12 | kPa | Joback Calculated Property |
| Inp | [2045.00; 2045.00] |
|
|
| Inp | 2045.00 | NIST | |
| Inp | 2045.00 | NIST | |
| Tboil | 684.08 | K | Joback Calculated Property |
| Tc | 913.20 | K | Joback Calculated Property |
| Tfus | 421.26 | K | Joback Calculated Property |
| Vc | 0.707 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [459.37; 526.59] | J/mol×K | [684.08; 913.20] |
|
| Cp,gas | 459.37 | J/mol×K | 684.08 | Joback Calculated Property |
| Cp,gas | 472.81 | J/mol×K | 722.27 | Joback Calculated Property |
| Cp,gas | 485.27 | J/mol×K | 760.45 | Joback Calculated Property |
| Cp,gas | 496.82 | J/mol×K | 798.64 | Joback Calculated Property |
| Cp,gas | 507.52 | J/mol×K | 836.83 | Joback Calculated Property |
| Cp,gas | 517.42 | J/mol×K | 875.01 | Joback Calculated Property |
| Cp,gas | 526.59 | J/mol×K | 913.20 | Joback Calculated Property |
| η | [0.0002480; 0.0013437] | Pa×s | [421.26; 684.08] |
|
| η | 0.0013437 | Pa×s | 421.26 | Joback Calculated Property |
| η | 0.0008880 | Pa×s | 465.06 | Joback Calculated Property |
| η | 0.0006302 | Pa×s | 508.87 | Joback Calculated Property |
| η | 0.0004722 | Pa×s | 552.67 | Joback Calculated Property |
| η | 0.0003691 | Pa×s | 596.47 | Joback Calculated Property |
| η | 0.0002985 | Pa×s | 640.28 | Joback Calculated Property |
| η | 0.0002480 | Pa×s | 684.08 | Joback Calculated Property |
Similar Compounds
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Sources
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