Chemical Properties of 4-Chlorobenzoic acid, 3-methylbut-2-enyl ester

InChI

InChI=1S/C12H13ClO2/c1-9(2)7-8-15-12(14)10-3-5-11(13)6-4-10/h3-7H,8H2,1-2H3

InChI Key

SLMPDOANKJZGFW-UHFFFAOYSA-N

Formula

C12H13ClO2

SMILES

CC(C)=CCOC(=O)c1ccc(Cl)cc1

Molecular Weight¹

224.68

• 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°	-21.24	kJ/mol	Joback Calculated Property
ΔfH°gas	-219.06	kJ/mol	Joback Calculated Property
ΔfusH°	26.36	kJ/mol	Joback Calculated Property
ΔvapH°	58.82	kJ/mol	Joback Calculated Property
log10WS	-3.93		Crippen Calculated Property
logPoct/wat	3.463		Crippen Calculated Property
McVol	171.560	ml/mol	McGowan Calculated Property
Pc	2530.27	kPa	Joback Calculated Property
Inp	[1624.00; 1624.00]
Inp	1624.00		NIST
Inp	1624.00		NIST
Tboil	623.38	K	Joback Calculated Property
Tc	846.88	K	Joback Calculated Property
Tfus	346.98	K	Joback Calculated Property
Vc	0.653	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[399.99; 469.21]	J/mol×K	[623.38; 846.88]
Cp,gas	399.99	J/mol×K	623.38	Joback Calculated Property
Cp,gas	413.60	J/mol×K	660.63	Joback Calculated Property
Cp,gas	426.34	J/mol×K	697.88	Joback Calculated Property
Cp,gas	438.23	J/mol×K	735.13	Joback Calculated Property
Cp,gas	449.31	J/mol×K	772.38	Joback Calculated Property
Cp,gas	459.62	J/mol×K	809.63	Joback Calculated Property
Cp,gas	469.21	J/mol×K	846.88	Joback Calculated Property

Similar Compounds

Find more compounds similar to 4-Chlorobenzoic acid, 3-methylbut-2-enyl ester.

Sources

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

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