Chemical Properties of 4-Chlorobenzoic acid, nonyl ester (CAS 97222-06-5)

InChI

InChI=1S/C16H23ClO2/c1-2-3-4-5-6-7-8-13-19-16(18)14-9-11-15(17)12-10-14/h9-12H,2-8,13H2,1H3

InChI Key

ZGGCOLIJJWJZNM-UHFFFAOYSA-N

Formula

C16H23ClO2

SMILES

CCCCCCCCCOC(=O)c1ccc(Cl)cc1

Molecular Weight¹

282.81

CAS

97222-06-5

Other Names

• Nonyl 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	0.8098		Relay (1.0) Calculated Property
ΔfH°gas	-489.60	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	39.41	kJ/mol	Joback Calculated Property
ΔvapH°	92.14	kJ/mol	Relay (1.0) Calculated Property
IE	9.12	eV	Relay (1.0) Calculated Property
log10WS	-6.20		Relay (1.0) Calculated Property
logPoct/wat	5.247		Crippen Calculated Property
McVol	232.220	ml/mol	McGowan Calculated Property
Pc	1639.10	kPa	Joback Calculated Property
Inp	[2013.00; 2045.00]
Inp	2013.00		NIST
Inp	2013.00		NIST
Inp	2023.00		NIST
Inp	2035.00		NIST
Inp	2045.00		NIST
Inp	2025.00		NIST
Inp	2035.00		NIST
Inp	2045.00		NIST
I	[2552.00; 2594.00]
I	2555.00		NIST
I	2572.00		NIST
I	2594.00		NIST
I	2587.00		NIST
I	2552.00		NIST
I	2577.00		NIST
I	2587.00		NIST
I	2555.00		NIST
Tboil	608.78	K	Relay (1.0) Calculated Property
Tc	804.33	K	Relay (1.0) Calculated Property
Tfus	289.77	K	Relay (1.0) Calculated Property
Vc	0.870	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	[623.96; 707.04]	J/mol×K	[692.99; 890.83]
Cp,gas	623.96	J/mol×K	692.99	Joback Calculated Property
Cp,gas	640.16	J/mol×K	725.96	Joback Calculated Property
Cp,gas	655.38	J/mol×K	758.94	Joback Calculated Property
Cp,gas	669.65	J/mol×K	791.91	Joback Calculated Property
Cp,gas	682.99	J/mol×K	824.88	Joback Calculated Property
Cp,gas	695.45	J/mol×K	857.85	Joback Calculated Property
Cp,gas	707.04	J/mol×K	890.83	Joback Calculated Property
η	[0.0000984; 0.0015934]	Pa×s	[381.27; 692.99]
η	0.0015934	Pa×s	381.27	Joback Calculated Property
η	0.0007585	Pa×s	433.22	Joback Calculated Property
η	0.0004232	Pa×s	485.18	Joback Calculated Property
η	0.0002644	Pa×s	537.13	Joback Calculated Property
η	0.0001794	Pa×s	589.08	Joback Calculated Property
η	0.0001297	Pa×s	641.04	Joback Calculated Property
η	0.0000984	Pa×s	692.99	Joback Calculated Property

Similar Compounds

Find more compounds similar to 4-Chlorobenzoic acid, nonyl 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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