Chemical Properties of Benzoic acid, 4-chloro, 4-pentenyl ester

InChI

InChI=1S/C12H13ClO2/c1-2-3-4-9-15-12(14)10-5-7-11(13)8-6-10/h2,5-8H,1,3-4,9H2

InChI Key

SNNHRVUKBNQLLY-UHFFFAOYSA-N

Formula

C12H13ClO2

SMILES

C=CCCCOC(=O)c1ccc(Cl)cc1

Molecular Weight¹

224.69

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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.
• I : 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	0.5877		Relay (1.0) Calculated Property
ΔfH°gas	-311.36	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	27.77	kJ/mol	Joback Calculated Property
ΔvapH°	76.47	kJ/mol	Relay (1.0) Calculated Property
IE	9.16	eV	Relay (1.0) Calculated Property
log10WS	-4.39		Relay (1.0) Calculated Property
logPoct/wat	3.463		Crippen Calculated Property
McVol	171.560	ml/mol	McGowan Calculated Property
Pc	2393.53	kPa	Joback Calculated Property
Inp	[1596.00; 1616.00]
Inp	1596.00		NIST
Inp	1606.00		NIST
Inp	1616.00		NIST
Inp	1614.00		NIST
Inp	1600.00		NIST
Inp	1610.00		NIST
I	[2190.00; 2248.00]
I	2190.00		NIST
I	2211.00		NIST
I	2229.00		NIST
I	2248.00		NIST
I	2208.00		NIST
I	2221.00		NIST
Tboil	569.03	K	Relay (1.0) Calculated Property
Tc	767.16	K	Relay (1.0) Calculated Property
Tfus	277.44	K	Relay (1.0) Calculated Property
Vc	0.606	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[396.24; 465.67]	J/mol×K	[598.15; 811.04]
Cp,gas	396.24	J/mol×K	598.15	Joback Calculated Property
Cp,gas	409.92	J/mol×K	633.63	Joback Calculated Property
Cp,gas	422.72	J/mol×K	669.11	Joback Calculated Property
Cp,gas	434.67	J/mol×K	704.60	Joback Calculated Property
Cp,gas	445.79	J/mol×K	740.08	Joback Calculated Property
Cp,gas	456.12	J/mol×K	775.56	Joback Calculated Property
Cp,gas	465.67	J/mol×K	811.04	Joback Calculated Property
η	[0.0001629; 0.0020438]	Pa×s	[334.43; 598.15]
η	0.0020438	Pa×s	334.43	Joback Calculated Property
η	0.0010496	Pa×s	378.38	Joback Calculated Property
η	0.0006193	Pa×s	422.34	Joback Calculated Property
η	0.0004036	Pa×s	466.29	Joback Calculated Property
η	0.0002832	Pa×s	510.24	Joback Calculated Property
η	0.0002101	Pa×s	554.20	Joback Calculated Property
η	0.0001629	Pa×s	598.15	Joback Calculated Property

Similar Compounds

Find more compounds similar to Benzoic acid, 4-chloro, 4-pentenyl 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.
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