Chemical Properties of Propanoic acid, 2-chloro, hexyl ester

InChI

InChI=1S/C9H17ClO2/c1-3-4-5-6-7-12-9(11)8(2)10/h8H,3-7H2,1-2H3

InChI Key

CKKHJCOIGGVMAZ-UHFFFAOYSA-N

Formula

C9H17ClO2

SMILES

CCCCCCOC(=O)C(C)Cl

Molecular Weight¹

192.68

Other Names

• Hexyl 2-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	0.5682		Relay (1.0) Calculated Property
ΔfH°gas	-590.66	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	24.11	kJ/mol	Joback Calculated Property
ΔvapH°	57.81	kJ/mol	Relay (1.0) Calculated Property
IE	10.16	eV	Relay (1.0) Calculated Property
log10WS	-3.08		Relay (1.0) Calculated Property
logPoct/wat	2.737		Crippen Calculated Property
McVol	157.350	ml/mol	McGowan Calculated Property
Pc	2254.67	kPa	Joback Calculated Property
Inp	[1216.00; 1234.00]
Inp	1220.00		NIST
Inp	1219.00		NIST
Inp	1221.00		NIST
Inp	1219.00		NIST
Inp	1224.00		NIST
Inp	1216.00		NIST
Inp	Outlier 1234.00		NIST
Inp	1221.00		NIST
Inp	1225.00		NIST
Inp	Outlier 1234.00		NIST
Inp	1224.00		NIST
Inp	1220.00		NIST
Inp	1216.00		NIST
Inp	1224.00		NIST
I	[1577.00; 1649.00]
I	1594.00		NIST
I	1580.00		NIST
I	1618.00		NIST
I	1625.00		NIST
I	1623.00		NIST
I	1649.00		NIST
I	1596.00		NIST
I	1577.00		NIST
I	1594.00		NIST
I	1649.00		NIST
Tboil	478.09	K	Relay (1.0) Calculated Property
Tc	670.71	K	Relay (1.0) Calculated Property
Tfus	228.08	K	Relay (1.0) Calculated Property
Vc	0.594	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	[347.24; 419.24]	J/mol×K	[500.73; 680.62]
Cp,gas	347.24	J/mol×K	500.73	Joback Calculated Property
Cp,gas	360.65	J/mol×K	530.71	Joback Calculated Property
Cp,gas	373.49	J/mol×K	560.69	Joback Calculated Property
Cp,gas	385.76	J/mol×K	590.68	Joback Calculated Property
Cp,gas	397.47	J/mol×K	620.66	Joback Calculated Property
Cp,gas	408.63	J/mol×K	650.64	Joback Calculated Property
Cp,gas	419.24	J/mol×K	680.62	Joback Calculated Property
η	[0.0002121; 0.0074775]	Pa×s	[248.44; 500.73]
η	0.0074775	Pa×s	248.44	Joback Calculated Property
η	0.0026868	Pa×s	290.49	Joback Calculated Property
η	0.0012506	Pa×s	332.54	Joback Calculated Property
η	0.0006912	Pa×s	374.58	Joback Calculated Property
η	0.0004306	Pa×s	416.63	Joback Calculated Property
η	0.0002925	Pa×s	458.68	Joback Calculated Property
η	0.0002121	Pa×s	500.73	Joback Calculated Property

Similar Compounds

Find more compounds similar to Propanoic acid, 2-chloro, hexyl 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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