- InChI
- InChI=1S/C9H9ClO/c10-9(11)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2
- InChI Key
- MFEILWXBDBCWKF-UHFFFAOYSA-N
- Formula
- C9H9ClO
- SMILES
- O=C(Cl)CCc1ccccc1
- Molecular Weight1
- 168.62
- Other Names
-
- 3-Phenylpropanoyl chloride
- 3-Phenylpropionic acid chloride
- 3-Phenylpropionyl chloride
- Dihydrocinnamoyl chloride
- Hydrocinnamoyl chloride
- Hydrocinnamyl chloride
- NSC 2854
- Propionyl chloride, 3-phenyl-
- «beta»-Phenylpropanoyl chloride
- «beta»-Phenylpropionyl chloride
- 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).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (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 | 0.4382 | Relay (1.0) Calculated Property | |
| ΔfG° | -3.54 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -119.85 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 18.90 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 54.66 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.28 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.48 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.385 | Crippen Calculated Property | |
| McVol | 127.720 | ml/mol | McGowan Calculated Property |
| Pc | 3360.64 | kPa | Joback Calculated Property |
| Inp | 1280.50 | NIST | |
| Tboil | 502.33 | K | Relay (1.0) Calculated Property |
| Tc | 718.43 | K | Relay (1.0) Calculated Property |
| Tfus | 250.49 | K | Relay (1.0) Calculated Property |
| Vc | 0.449 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [258.91; 320.10] | J/mol×K | [523.30; 746.94] | 
|
| Cp,gas | 258.91 | J/mol×K | 523.30 | Joback Calculated Property |
| Cp,gas | 271.02 | J/mol×K | 560.57 | Joback Calculated Property |
| Cp,gas | 282.32 | J/mol×K | 597.85 | Joback Calculated Property |
| Cp,gas | 292.84 | J/mol×K | 635.12 | Joback Calculated Property |
| Cp,gas | 302.62 | J/mol×K | 672.39 | Joback Calculated Property |
| Cp,gas | 311.69 | J/mol×K | 709.67 | Joback Calculated Property |
| Cp,gas | 320.10 | J/mol×K | 746.94 | Joback Calculated Property |
| η | [0.0002859; 0.0029503] | Pa×s | [297.46; 523.30] |
|
| η | 0.0029503 | Pa×s | 297.46 | Joback Calculated Property |
| η | 0.0016071 | Pa×s | 335.10 | Joback Calculated Property |
| η | 0.0009896 | Pa×s | 372.74 | Joback Calculated Property |
| η | 0.0006661 | Pa×s | 410.38 | Joback Calculated Property |
| η | 0.0004792 | Pa×s | 448.02 | Joback Calculated Property |
| η | 0.0003628 | Pa×s | 485.66 | Joback Calculated Property |
| η | 0.0002859 | Pa×s | 523.30 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | [380.20; 389.50] | K | [1.50; 2.00] |
|
| Tboilr | 380.20 | K | 1.50 | NIST |
| Tboilr | 389.50 ± 0.50 | K | 2.00 | NIST |
Similar Compounds
Find more compounds similar to 3-Phenylpropionyl chloride.
Sources
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