Chemical Properties of 4-Chlorobenzoic acid, dodecyl ester (CAS 97222-07-6)

InChI

InChI=1S/C19H29ClO2/c1-2-3-4-5-6-7-8-9-10-11-16-22-19(21)17-12-14-18(20)15-13-17/h12-15H,2-11,16H2,1H3

InChI Key

AEOLFEGHEDCXAW-UHFFFAOYSA-N

Formula

C19H29ClO2

SMILES

CCCCCCCCCCCCOC(=O)c1ccc(Cl)cc1

Molecular Weight¹

324.88

CAS

97222-07-6

Other Names

• Dodecyl 4-chlorobenzoate

• 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	0.9233		Relay (1.0) Calculated Property
ΔfH°gas	-554.90	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	47.18	kJ/mol	Joback Calculated Property
ΔvapH°	105.07	kJ/mol	Relay (1.0) Calculated Property
IE	9.21	eV	Relay (1.0) Calculated Property
log10WS	-7.05		Relay (1.0) Calculated Property
logPoct/wat	6.418		Crippen Calculated Property
McVol	274.490	ml/mol	McGowan Calculated Property
Pc	1314.65	kPa	Joback Calculated Property
Inp	[2312.00; 2363.00]
Inp	2312.00		NIST
Inp	2322.00		NIST
Inp	2333.00		NIST
Inp	2363.00		NIST
Inp	2339.00		NIST
Inp	2351.00		NIST
Inp	2363.00		NIST
Inp	2312.00		NIST
I	[2856.00; 2914.00]
I	2914.00		NIST
I	2856.00		NIST
I	2874.00		NIST
I	2898.00		NIST
I	2914.00		NIST
I	2880.00		NIST
I	2902.00		NIST
I	2856.00		NIST
Tboil	630.43	K	Relay (1.0) Calculated Property
Tc	830.64	K	Relay (1.0) Calculated Property
Tfus	300.30	K	Relay (1.0) Calculated Property
Vc	1.036	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	[792.02; 879.12]	J/mol×K	[761.63; 955.54]
Cp,gas	792.02	J/mol×K	761.63	Joback Calculated Property
Cp,gas	809.04	J/mol×K	793.95	Joback Calculated Property
Cp,gas	825.01	J/mol×K	826.27	Joback Calculated Property
Cp,gas	839.97	J/mol×K	858.59	Joback Calculated Property
Cp,gas	853.96	J/mol×K	890.90	Joback Calculated Property
Cp,gas	866.99	J/mol×K	923.22	Joback Calculated Property
Cp,gas	879.12	J/mol×K	955.54	Joback Calculated Property
η	[0.0000663; 0.0012019]	Pa×s	[415.08; 761.63]
η	0.0012019	Pa×s	415.08	Joback Calculated Property
η	0.0005522	Pa×s	472.84	Joback Calculated Property
η	0.0003005	Pa×s	530.60	Joback Calculated Property
η	0.0001843	Pa×s	588.36	Joback Calculated Property
η	0.0001234	Pa×s	646.11	Joback Calculated Property
η	0.0000882	Pa×s	703.87	Joback Calculated Property
η	0.0000663	Pa×s	761.63	Joback Calculated Property

Similar Compounds

Find more compounds similar to 4-Chlorobenzoic acid, dodecyl 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.
These property values are available through the Cheméo API. A free account gives you an access key.