- InChI
- InChI=1S/C9H9Cl/c10-8-4-7-9-5-2-1-3-6-9/h1-7H,8H2/b7-4+
- InChI Key
- IWTYTFSSTWXZFU-QPJJXVBHSA-N
- Formula
- C9H9Cl
- SMILES
- ClCC=Cc1ccccc1
- Molecular Weight1
- 152.62
- CAS
- 2687-12-9
- Other Names
-
- Benzene, (3-chloropropenyl)-
- Cinnamyl chloride
- Propene, 3-chloro-1-phenyl-
- 1-Propene, 3-chloro-1-phenyl-
- 3-Chloro-1-phenylpropene
- 3-Phenyl-2-propenyl chloride
- (3-Chloropropenyl)benzene
- 1-Phenyl-3-chloro-1-propene
- 3-Chloro-1-phenyl-1-propene
- (3-Chloroprop-1-enyl)benzene
- Benzene, (3-chloro-1-propen-1-yl)-
- NSC 5599
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | 79.06 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 17.51 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 56.19 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.70 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 2.939 | Crippen Calculated Property | |
| McVol | 121.850 | ml/mol | McGowan Calculated Property |
| Inp | 1262.00 | NIST | |
| Tboil | 498.95 | K | Relay (1.0) Calculated Property |
| Tfus | 281.16 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 381.20 | K | 1.60 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [138.55; 342.81] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -4.04890e+01 | |||
| Coefficient B | 8.06700e-01 | |||
| Coefficient C | -6.01200e-04 | |||
| Coefficient D | 1.77800e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 138.55 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 177.53 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 211.13 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 239.90 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 264.42 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 285.24 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 302.93 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 318.05 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 331.15 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 342.81 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0031929; 0.0001974] | Pa×s | [242.45; 488.86] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.12690e+01 | |||
| Coefficient B | 1.33886e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 242.45 | |||
| Temperature range, max. | 488.86 | |||
| η | 0.0031929 | Pa×s | 242.45 | Calculated Property |
| η | 0.0018232 | Pa×s | 269.83 | Calculated Property |
| η | 0.0011543 | Pa×s | 297.21 | Calculated Property |
| η | 0.0007894 | Pa×s | 324.59 | Calculated Property |
| η | 0.0005727 | Pa×s | 351.97 | Calculated Property |
| η | 0.0004352 | Pa×s | 379.34 | Calculated Property |
| η | 0.0003432 | Pa×s | 406.72 | Calculated Property |
| η | 0.0002789 | Pa×s | 434.10 | Calculated Property |
| η | 0.0002322 | Pa×s | 461.48 | Calculated Property |
| η | 0.0001974 | Pa×s | 488.86 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, (3-chloro-1-propenyl)-.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
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