Chemical Properties of Benzene, (3-chloro-1-propenyl)- (CAS 2687-12-9)

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

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[225.67; 290.23]	J/mol×K	[473.79; 698.37]
Cp,gas	225.67	J/mol×K	473.79	Joback Calculated Property
Cp,gas	238.55	J/mol×K	511.22	Joback Calculated Property
Cp,gas	250.50	J/mol×K	548.65	Joback Calculated Property
Cp,gas	261.59	J/mol×K	586.08	Joback Calculated Property
Cp,gas	271.87	J/mol×K	623.51	Joback Calculated Property
Cp,gas	281.40	J/mol×K	660.94	Joback Calculated Property
Cp,gas	290.23	J/mol×K	698.37	Joback Calculated Property
η	[0.0002154; 0.0031929]	Pa×s	[242.45; 473.79]
η	0.0031929	Pa×s	242.45	Joback Calculated Property
η	0.0014967	Pa×s	281.01	Joback Calculated Property
η	0.0008423	Pa×s	319.56	Joback Calculated Property
η	0.0005365	Pa×s	358.12	Joback Calculated Property
η	0.0003730	Pa×s	396.68	Joback Calculated Property
η	0.0002766	Pa×s	435.23	Joback Calculated Property
η	0.0002154	Pa×s	473.79	Joback Calculated Property

Pressure Dependent Properties

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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