Chemical Properties of Benzoic acid, 4-chloro, (Z)-3-hexenyl ester

InChI

InChI=1S/C13H15ClO2/c1-2-3-4-5-10-16-13(15)11-6-8-12(14)9-7-11/h3-4,6-9H,2,5,10H2,1H3/b4-3-

InChI Key

FIWFTOPJYJJZID-ARJAWSKDSA-N

Formula

C13H15ClO2

SMILES

CCC=CCCOC(=O)c1ccc(Cl)cc1

Molecular Weight¹

238.71

• 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	0.5741		Relay (1.0) Calculated Property
ΔfH°gas	-359.49	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	31.85	kJ/mol	Joback Calculated Property
ΔvapH°	80.96	kJ/mol	Relay (1.0) Calculated Property
IE	9.00	eV	Relay (1.0) Calculated Property
log10WS	-4.78		Relay (1.0) Calculated Property
logPoct/wat	3.853		Crippen Calculated Property
McVol	185.650	ml/mol	McGowan Calculated Property
Pc	2204.15	kPa	Joback Calculated Property
Inp	[1699.00; 1726.00]
Inp	1699.00		NIST
Inp	1709.00		NIST
Inp	1720.00		NIST
Inp	1726.00		NIST
Inp	1707.00		NIST
Inp	1719.00		NIST
Inp	1699.00		NIST
I	[2277.00; 2342.00]
I	2277.00		NIST
I	2299.00		NIST
I	2320.00		NIST
I	2342.00		NIST
I	2305.00		NIST
I	2318.00		NIST
Tboil	577.35	K	Relay (1.0) Calculated Property
Tc	772.86	K	Relay (1.0) Calculated Property
Tfus	263.28	K	Relay (1.0) Calculated Property
Vc	0.658	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	[445.62; 518.37]	J/mol×K	[628.51; 842.39]
Cp,gas	445.62	J/mol×K	628.51	Joback Calculated Property
Cp,gas	459.97	J/mol×K	664.16	Joback Calculated Property
Cp,gas	473.38	J/mol×K	699.80	Joback Calculated Property
Cp,gas	485.89	J/mol×K	735.45	Joback Calculated Property
Cp,gas	497.53	J/mol×K	771.10	Joback Calculated Property
Cp,gas	508.34	J/mol×K	806.74	Joback Calculated Property
Cp,gas	518.37	J/mol×K	842.39	Joback Calculated Property
η	[0.0001206; 0.0018517]	Pa×s	[342.38; 628.51]
η	0.0018517	Pa×s	342.38	Joback Calculated Property
η	0.0008893	Pa×s	390.07	Joback Calculated Property
η	0.0005011	Pa×s	437.76	Joback Calculated Property
η	0.0003160	Pa×s	485.45	Joback Calculated Property
η	0.0002165	Pa×s	533.13	Joback Calculated Property
η	0.0001578	Pa×s	580.82	Joback Calculated Property
η	0.0001206	Pa×s	628.51	Joback Calculated Property

Similar Compounds

Find more compounds similar to Benzoic acid, 4-chloro, (Z)-3-hexenyl 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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