Chemical Properties of Decyl 3-chlorobenzoate

InChI

InChI=1S/C17H25ClO2/c1-2-3-4-5-6-7-8-9-13-20-17(19)15-11-10-12-16(18)14-15/h10-12,14H,2-9,13H2,1H3

InChI Key

KJNHMQHNRBEWRN-UHFFFAOYSA-N

Formula

C17H25ClO2

SMILES

CCCCCCCCCCOC(=O)c1cccc(Cl)c1

Molecular Weight¹

296.84

Other Names

• Benzoic acid, 3-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).
• 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	0.8442		Relay (1.0) Calculated Property
ΔfH°gas	-507.23	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	42.00	kJ/mol	Joback Calculated Property
ΔvapH°	93.53	kJ/mol	Relay (1.0) Calculated Property
IE	9.21	eV	Relay (1.0) Calculated Property
log10WS	-6.55		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	[2109.00; 2173.00]
Inp	2109.00		NIST
Inp	2118.00		NIST
Inp	2128.00		NIST
Inp	2173.00		NIST
Inp	2147.00		NIST
Inp	2125.00		NIST
Inp	2136.00		NIST
Inp	2109.00		NIST
Inp	2173.00		NIST
I	[2653.00; 2692.00]
I	2653.00		NIST
I	2669.00		NIST
I	2689.00		NIST
I	2692.00		NIST
I	2658.00		NIST
I	2679.00		NIST
I	2653.00		NIST
Tboil	611.99	K	Relay (1.0) Calculated Property
Tc	816.15	K	Relay (1.0) Calculated Property
Tfus	275.94	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 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	[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 Decyl 3-chlorobenzoate.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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