Chemical Properties of 2-chlorobenzoic acid, undecyl ester

InChI

InChI=1S/C18H27ClO2/c1-2-3-4-5-6-7-8-9-12-15-21-18(20)16-13-10-11-14-17(16)19/h10-11,13-14H,2-9,12,15H2,1H3

InChI Key

LZZUEDTUAJZZBG-UHFFFAOYSA-N

Formula

C18H27ClO2

SMILES

CCCCCCCCCCCOC(=O)c1ccccc1Cl

Molecular Weight¹

310.86

Other Names

• Benzoic acid, 2-chloro, undecyl 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	0.8816		Relay (1.0) Calculated Property
ΔfH°gas	-529.41	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	44.59	kJ/mol	Joback Calculated Property
ΔvapH°	97.43	kJ/mol	Relay (1.0) Calculated Property
log10WS	-6.63		Relay (1.0) Calculated Property
logPoct/wat	6.028		Crippen Calculated Property
McVol	260.400	ml/mol	McGowan Calculated Property
Pc	1411.18	kPa	Joback Calculated Property
Inp	[2213.00; 2260.00]
Inp	2232.30		NIST
Inp	2213.00		NIST
Inp	2213.00		NIST
Inp	2223.00		NIST
Inp	2234.00		NIST
Inp	2260.00		NIST
Inp	2237.00		NIST
Inp	2250.00		NIST
Inp	2232.30		NIST
Inp	2260.00		NIST
I	[2841.00; 2897.00]
I	2841.00		NIST
I	2858.00		NIST
I	2880.00		NIST
I	2897.00		NIST
I	2861.00		NIST
I	2882.00		NIST
I	2897.00		NIST
I	2841.00		NIST
Tboil	613.30	K	Relay (1.0) Calculated Property
Tc	829.37	K	Relay (1.0) Calculated Property
Tfus	280.87	K	Relay (1.0) Calculated Property
Vc	0.982	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	[734.94; 820.89]	J/mol×K	[738.75; 933.47]
Cp,gas	734.94	J/mol×K	738.75	Joback Calculated Property
Cp,gas	751.71	J/mol×K	771.20	Joback Calculated Property
Cp,gas	767.47	J/mol×K	803.66	Joback Calculated Property
Cp,gas	782.23	J/mol×K	836.11	Joback Calculated Property
Cp,gas	796.03	J/mol×K	868.57	Joback Calculated Property
Cp,gas	808.91	J/mol×K	901.02	Joback Calculated Property
Cp,gas	820.89	J/mol×K	933.47	Joback Calculated Property
η	[0.0000759; 0.0013275]	Pa×s	[403.81; 738.75]
η	0.0013275	Pa×s	403.81	Joback Calculated Property
η	0.0006168	Pa×s	459.63	Joback Calculated Property
η	0.0003383	Pa×s	515.46	Joback Calculated Property
η	0.0002087	Pa×s	571.28	Joback Calculated Property
η	0.0001403	Pa×s	627.10	Joback Calculated Property
η	0.0001006	Pa×s	682.93	Joback Calculated Property
η	0.0000759	Pa×s	738.75	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-chlorobenzoic acid, undecyl 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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