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

• 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	0.5379		Relay (... Calculated Property
ΔfG°	-21.24	kJ/mol	Joback Calculated Property
ΔfH°gas	-317.45	kJ/mol	Relay (... Calculated Property
ΔfusH°	26.36	kJ/mol	Joback Calculated Property
ΔvapH°	77.78	kJ/mol	Relay (... Calculated Property
IE	8.89	eV	Relay (... Calculated Property
log10WS	-4.65		Relay (... 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	564.12	K	Relay (... Calculated Property
Tc	758.93	K	Relay (... Calculated Property
Tfus	310.79	K	Relay (... Calculated Property
Vc	0.607	m3/kmol	Relay (... 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

• Cheméo Relay (1.0)
• 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.