- InChI
- InChI=1S/C12H13ClO/c1-3-5-10-9-11(13)6-7-12(10)14-8-4-2/h3-4,6-7,9H,1-2,5,8H2
- InChI Key
- BWKRYENOKBVWNT-UHFFFAOYSA-N
- Formula
- C12H13ClO
- SMILES
- C=CCOc1ccc(Cl)cc1CC=C
- Molecular Weight1
- 208.68
- CAS
- 51496-26-5
- ω : Acentric Factor.
- 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).
- 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 | 0.4682 | Relay (... Calculated Property | |
| ΔfG° | 202.06 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -47.49 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 22.92 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 65.56 | kJ/mol | Relay (... Calculated Property |
| IE | 8.28 | eV | Relay (... Calculated Property |
| log10WS | -4.08 | Relay (... Calculated Property | |
| logPoct/wat | 3.633 | Crippen Calculated Property | |
| McVol | 165.690 | ml/mol | McGowan Calculated Property |
| Pc | 2405.28 | kPa | Joback Calculated Property |
| Tboil | 533.42 | K | Relay (... Calculated Property |
| Tc | 743.71 | K | Relay (... Calculated Property |
| Tfus | 271.72 | K | Relay (... Calculated Property |
| Vc | 0.563 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [362.30; 433.65] | J/mol×K | [563.81; 776.70] | 
|
| Cp,gas | 362.30 | J/mol×K | 563.81 | Joback Calculated Property |
| Cp,gas | 376.04 | J/mol×K | 599.29 | Joback Calculated Property |
| Cp,gas | 389.01 | J/mol×K | 634.77 | Joback Calculated Property |
| Cp,gas | 401.23 | J/mol×K | 670.26 | Joback Calculated Property |
| Cp,gas | 412.73 | J/mol×K | 705.74 | Joback Calculated Property |
| Cp,gas | 423.52 | J/mol×K | 741.22 | Joback Calculated Property |
| Cp,gas | 433.65 | J/mol×K | 776.70 | Joback Calculated Property |
| η | [0.0001717; 0.0012666] | Pa×s | [325.09; 563.81] |
|
| η | 0.0012666 | Pa×s | 325.09 | Joback Calculated Property |
| η | 0.0007571 | Pa×s | 364.88 | Joback Calculated Property |
| η | 0.0005007 | Pa×s | 404.66 | Joback Calculated Property |
| η | 0.0003566 | Pa×s | 444.45 | Joback Calculated Property |
| η | 0.0002685 | Pa×s | 484.24 | Joback Calculated Property |
| η | 0.0002111 | Pa×s | 524.02 | Joback Calculated Property |
| η | 0.0001717 | Pa×s | 563.81 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Allyl-4-chlorophenyl allyl ether.
Sources
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