Chemical Properties of Cinnamoyl chloride (CAS 102-92-1)

InChI

InChI=1S/C9H7ClO/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H/b7-6+

InChI Key

WOGITNXCNOTRLK-VOTSOKGWSA-N

Formula

C9H7ClO

SMILES

O=C(Cl)C=Cc1ccccc1

Molecular Weight¹

166.60

CAS

102-92-1

Other Names

• 2-Propenoyl chloride, 3-phenyl-
• «beta»-Phenylacryloyl chloride
• Cinnamic acid chloride
• Cinnamic chloride
• 3-Phenyl-2-propenoyl chloride
• 3-Phenylacryloyl chloride
• NSC 4683

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

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Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[139.48; 331.83]	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			-3.31300e+01
Coefficient B			7.78700e-01
Coefficient C			-5.82500e-04
Coefficient D			1.68760e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	139.48	J/mol×K	273.00	Calculated Property
Cp,gas	176.92	J/mol×K	353.78	Calculated Property
Cp,gas	209.11	J/mol×K	434.56	Calculated Property
Cp,gas	236.56	J/mol×K	515.33	Calculated Property
Cp,gas	259.82	J/mol×K	596.11	Calculated Property
Cp,gas	279.41	J/mol×K	676.89	Calculated Property
Cp,gas	295.88	J/mol×K	757.67	Calculated Property
Cp,gas	309.75	J/mol×K	838.44	Calculated Property
Cp,gas	321.55	J/mol×K	919.22	Calculated Property
Cp,gas	331.83	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0027090; 0.0002337]	Pa×s	[292.38; 533.55]	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			-1.13324e+01
Coefficient B			1.58505e+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.			292.38
Temperature range, max.			533.55
η	0.0027090	Pa×s	292.38	Calculated Property
η	0.0017185	Pa×s	319.18	Calculated Property
η	0.0011698	Pa×s	345.97	Calculated Property
η	0.0008415	Pa×s	372.77	Calculated Property
η	0.0006327	Pa×s	399.57	Calculated Property
η	0.0004931	Pa×s	426.37	Calculated Property
η	0.0003958	Pa×s	453.16	Calculated Property
η	0.0003256	Pa×s	479.96	Calculated Property
η	0.0002734	Pa×s	506.76	Calculated Property
η	0.0002337	Pa×s	533.55	Calculated Property

Similar Compounds

Find more compounds similar to Cinnamoyl chloride.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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