Chemical Properties of 2-Chlorobenzoic acid, decyl ester (CAS 97221-95-9)

InChI

InChI=1S/C17H25ClO2/c1-2-3-4-5-6-7-8-11-14-20-17(19)15-12-9-10-13-16(15)18/h9-10,12-13H,2-8,11,14H2,1H3

InChI Key

XWNLBSXKHJVMLC-UHFFFAOYSA-N

Formula

C17H25ClO2

SMILES

CCCCCCCCCCOC(=O)c1ccccc1Cl

Molecular Weight¹

296.83

CAS

97221-95-9

Other Names

• Benzoic acid, 2-chloro, decyl ester

• 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).
• 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	0.8433		Relay (1.0) Calculated Property
ΔfH°gas	-507.75	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	42.00	kJ/mol	Joback Calculated Property
ΔvapH°	93.18	kJ/mol	Relay (1.0) Calculated Property
log10WS	-6.35		Relay (1.0) Calculated Property
logPoct/wat	5.638		Crippen Calculated Property
McVol	246.310	ml/mol	McGowan Calculated Property
Pc	1518.75	kPa	Joback Calculated Property
Inp	[2114.00; 2168.40]
Inp	2168.40		NIST
Inp	2114.00		NIST
Inp	2123.00		NIST
Inp	2133.00		NIST
Inp	2155.00		NIST
Inp	2131.00		NIST
Inp	2144.00		NIST
Inp	2168.40		NIST
Inp	2155.00		NIST
Inp	2114.00		NIST
I	[2740.00; 2787.00]
I	2787.00		NIST
I	2740.00		NIST
I	2756.00		NIST
I	2778.00		NIST
I	2787.00		NIST
I	2751.00		NIST
I	2771.00		NIST
I	2740.00		NIST
Tboil	606.19	K	Relay (1.0) Calculated Property
Tc	820.69	K	Relay (1.0) Calculated Property
Tfus	276.23	K	Relay (1.0) Calculated Property
Vc	0.927	m3/kmol	Relay (1.0) Calculated Property

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

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[678.89; 763.52]	J/mol×K	[715.87; 911.92]
Cp,gas	678.89	J/mol×K	715.87	Joback Calculated Property
Cp,gas	695.40	J/mol×K	748.54	Joback Calculated Property
Cp,gas	710.90	J/mol×K	781.22	Joback Calculated Property
Cp,gas	725.44	J/mol×K	813.89	Joback Calculated Property
Cp,gas	739.03	J/mol×K	846.57	Joback Calculated Property
Cp,gas	751.72	J/mol×K	879.24	Joback Calculated Property
Cp,gas	763.52	J/mol×K	911.92	Joback Calculated Property
η	[0.0000866; 0.0014586]	Pa×s	[392.54; 715.87]
η	0.0014586	Pa×s	392.54	Joback Calculated Property
η	0.0006857	Pa×s	446.43	Joback Calculated Property
η	0.0003793	Pa×s	500.32	Joback Calculated Property
η	0.0002354	Pa×s	554.21	Joback Calculated Property
η	0.0001590	Pa×s	608.09	Joback Calculated Property
η	0.0001145	Pa×s	661.98	Joback Calculated Property
η	0.0000866	Pa×s	715.87	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-Chlorobenzoic acid, decyl 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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