Chemical Properties of 3-Chlropropionic acid, nonyl ester

InChI

InChI=1S/C12H23ClO2/c1-2-3-4-5-6-7-8-11-15-12(14)9-10-13/h2-11H2,1H3

InChI Key

TVEXZMIDIHNANR-UHFFFAOYSA-N

Formula

C12H23ClO2

SMILES

CCCCCCCCCOC(=O)CCCl

Molecular Weight¹

234.77

Other Names

• Propanoic acid, 3-chloro, nonyl ester
• Nonyl 3-chloropropanoate

• 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	0.7304		Relay (1.0) Calculated Property
ΔfH°gas	-635.49	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	33.82	kJ/mol	Joback Calculated Property
ΔvapH°	73.22	kJ/mol	Relay (1.0) Calculated Property
IE	9.83	eV	Relay (1.0) Calculated Property
log10WS	-4.45		Relay (1.0) Calculated Property
logPoct/wat	3.909		Crippen Calculated Property
McVol	199.620	ml/mol	McGowan Calculated Property
Pc	1793.94	kPa	Joback Calculated Property
Inp	[1584.00; 1604.00]
Inp	1584.00		NIST
Inp	1591.00		NIST
Inp	1595.00		NIST
Inp	1597.00		NIST
Inp	1600.00		NIST
Inp	1593.00		NIST
Inp	1604.00		NIST
Inp	1603.00		NIST
I	[2070.00; 2104.00]
I	2070.00		NIST
I	2073.00		NIST
I	2084.00		NIST
I	2093.00		NIST
I	2104.00		NIST
Tboil	545.68	K	Relay (1.0) Calculated Property
Tc	729.88	K	Relay (1.0) Calculated Property
Tfus	256.08	K	Relay (1.0) Calculated Property
Vc	0.755	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	[496.42; 577.32]	J/mol×K	[587.68; 762.26]
Cp,gas	496.42	J/mol×K	587.68	Joback Calculated Property
Cp,gas	511.47	J/mol×K	616.78	Joback Calculated Property
Cp,gas	525.87	J/mol×K	645.87	Joback Calculated Property
Cp,gas	539.64	J/mol×K	674.97	Joback Calculated Property
Cp,gas	552.80	J/mol×K	704.07	Joback Calculated Property
Cp,gas	565.36	J/mol×K	733.17	Joback Calculated Property
Cp,gas	577.32	J/mol×K	762.26	Joback Calculated Property
η	[0.0001781; 0.0026085]	Pa×s	[327.08; 587.68]
η	0.0026085	Pa×s	327.08	Joback Calculated Property
η	0.0012830	Pa×s	370.51	Joback Calculated Property
η	0.0007323	Pa×s	413.95	Joback Calculated Property
η	0.0004650	Pa×s	457.38	Joback Calculated Property
η	0.0003194	Pa×s	500.81	Joback Calculated Property
η	0.0002330	Pa×s	544.25	Joback Calculated Property
η	0.0001781	Pa×s	587.68	Joback Calculated Property

Similar Compounds

Find more compounds similar to 3-Chlropropionic 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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