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

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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
ΔfG°	-223.39	kJ/mol	Joback Calculated Property
ΔfH°gas	-494.91	kJ/mol	Joback Calculated Property
ΔfusH°	22.53	kJ/mol	Joback Calculated Property
ΔvapH°	48.78	kJ/mol	Joback Calculated Property
log10WS	-2.72		Crippen Calculated Property
logPoct/wat	2.737		Crippen Calculated Property
McVol	157.350	ml/mol	McGowan Calculated Property
Pc	2345.09	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	518.60	K	Joback Calculated Property
Tc	701.32	K	Joback Calculated Property
Tfus	278.27	K	Joback Calculated Property
Vc	0.607	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[352.38; 423.11]	J/mol×K	[518.60; 701.32]
Cp,gas	352.38	J/mol×K	518.60	Joback Calculated Property
Cp,gas	365.50	J/mol×K	549.05	Joback Calculated Property
Cp,gas	378.08	J/mol×K	579.51	Joback Calculated Property
Cp,gas	390.13	J/mol×K	609.96	Joback Calculated Property
Cp,gas	401.64	J/mol×K	640.41	Joback Calculated Property
Cp,gas	412.64	J/mol×K	670.86	Joback Calculated Property
Cp,gas	423.11	J/mol×K	701.32	Joback Calculated Property
η	[0.0002269; 0.0040831]	Pa×s	[278.27; 518.60]
η	0.0040831	Pa×s	278.27	Joback Calculated Property
η	0.0018630	Pa×s	318.32	Joback Calculated Property
η	0.0010130	Pa×s	358.38	Joback Calculated Property
η	0.0006226	Pa×s	398.44	Joback Calculated Property
η	0.0004182	Pa×s	438.49	Joback Calculated Property
η	0.0003003	Pa×s	478.55	Joback Calculated Property
η	0.0002269	Pa×s	518.60	Joback Calculated Property

Similar Compounds

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

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.