Chemical Properties of Benzeneacetic acid, 4-chloro-, 3-methylbut-2-en-1-yl ester

InChI

InChI=1S/C13H15ClO2/c1-10(2)7-8-16-13(15)9-11-3-5-12(14)6-4-11/h3-7H,8-9H2,1-2H3

InChI Key

CGDMGJNRMZYCOK-UHFFFAOYSA-N

Formula

C13H15ClO2

SMILES

CC(C)=CCOC(=O)Cc1ccc(Cl)cc1

Molecular Weight¹

238.71

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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).
• 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).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfG°	-12.82	kJ/mol	Joback Calculated Property
ΔfH°gas	-239.70	kJ/mol	Joback Calculated Property
ΔfusH°	28.95	kJ/mol	Joback Calculated Property
ΔvapH°	61.05	kJ/mol	Joback Calculated Property
log10WS	-3.77		Crippen Calculated Property
logPoct/wat	3.392		Crippen Calculated Property
McVol	185.650	ml/mol	McGowan Calculated Property
Pc	2302.53	kPa	Joback Calculated Property
Inp	[1750.00; 1750.00]
Inp	1750.00		NIST
Inp	1750.00		NIST
Tboil	646.26	K	Joback Calculated Property
Tc	865.75	K	Joback Calculated Property
Tfus	358.25	K	Joback Calculated Property
Vc	0.710	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[449.44; 522.08]	J/mol×K	[646.26; 865.75]
Cp,gas	449.44	J/mol×K	646.26	Joback Calculated Property
Cp,gas	463.69	J/mol×K	682.84	Joback Calculated Property
Cp,gas	477.03	J/mol×K	719.42	Joback Calculated Property
Cp,gas	489.50	J/mol×K	756.00	Joback Calculated Property
Cp,gas	501.13	J/mol×K	792.59	Joback Calculated Property
Cp,gas	511.98	J/mol×K	829.17	Joback Calculated Property
Cp,gas	522.08	J/mol×K	865.75	Joback Calculated Property

Similar Compounds

Find more compounds similar to Benzeneacetic acid, 4-chloro-, 3-methylbut-2-en-1-yl ester.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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