Chemical Properties of 3-Methylbut-2-enoic acid, 3,4-dichlorophenyl ester

InChI

InChI=1S/C11H10Cl2O2/c1-7(2)5-11(14)15-8-3-4-9(12)10(13)6-8/h3-6H,1-2H3

InChI Key

ZFPKWERGBZSOTQ-UHFFFAOYSA-N

Formula

C11H10Cl2O2

SMILES

CC(C)=CC(=O)Oc1ccc(Cl)c(Cl)c1

Molecular Weight¹

245.10

• ω : Acentric Factor.
• 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).
• 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).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.5800		Relay (1.0) Calculated Property
ΔfG°	-51.22	kJ/mol	Joback Calculated Property
ΔfH°gas	-327.10	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	27.58	kJ/mol	Joback Calculated Property
ΔvapH°	78.56	kJ/mol	Relay (1.0) Calculated Property
IE	8.56	eV	Relay (1.0) Calculated Property
log10WS	-4.93		Relay (1.0) Calculated Property
logPoct/wat	3.865		Crippen Calculated Property
McVol	169.710	ml/mol	McGowan Calculated Property
Pc	2646.11	kPa	Joback Calculated Property
Inp	[1725.00; 1725.00]
Inp	1725.00		NIST
Inp	1725.00		NIST
Tboil	555.83	K	Relay (1.0) Calculated Property
Tc	801.94	K	Relay (1.0) Calculated Property
Tfus	333.25	K	Relay (1.0) Calculated Property
Vc	0.603	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[374.76; 433.57]	J/mol×K	[642.91; 874.97]
Cp,gas	374.76	J/mol×K	642.91	Joback Calculated Property
Cp,gas	386.44	J/mol×K	681.59	Joback Calculated Property
Cp,gas	397.33	J/mol×K	720.26	Joback Calculated Property
Cp,gas	407.45	J/mol×K	758.94	Joback Calculated Property
Cp,gas	416.84	J/mol×K	797.62	Joback Calculated Property
Cp,gas	425.54	J/mol×K	836.29	Joback Calculated Property
Cp,gas	433.57	J/mol×K	874.97	Joback Calculated Property

Similar Compounds

Find more compounds similar to 3-Methylbut-2-enoic acid, 3,4-dichlorophenyl ester.

Sources

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

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