Chemical Properties of Propanoic acid, 3-chloro-, propyl ester (CAS 62108-66-1)

InChI

InChI=1S/C6H11ClO2/c1-2-5-9-6(8)3-4-7/h2-5H2,1H3

InChI Key

WIOAODPBBXZVNV-UHFFFAOYSA-N

Formula

C6H11ClO2

SMILES

CCCOC(=O)CCCl

Molecular Weight¹

150.60

CAS

62108-66-1

Other Names

• propyl 3-chloropropionate
• n-Propyl-3-chloropropionate

• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• 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_fH°_liquid : Liquid phase 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
ΔcH°liquid	[-3479.00; -3413.00]	kJ/mol
ΔcH°liquid	-3419.20 ± 8.40	kJ/mol	NIST
ΔcH°liquid	-3479.00 ± 4.00	kJ/mol	NIST
ΔcH°liquid	-3413.00	kJ/mol	NIST
ΔfG°	-246.21	kJ/mol	Joback Calculated Property
ΔfH°gas	-485.80 ± 9.60	kJ/mol	NIST
ΔfH°liquid	-537.60 ± 8.40	kJ/mol	NIST
ΔfusH°	18.28	kJ/mol	Joback Calculated Property
ΔvapH°	51.90 ± 4.20	kJ/mol	NIST
log10WS	-1.35		Crippen Calculated Property
logPoct/wat	1.568		Crippen Calculated Property
McVol	115.080	ml/mol	McGowan Calculated Property
Pc	3138.51	kPa	Joback Calculated Property
Inp	[978.00; 1003.00]
Inp	996.00		NIST
Inp	996.00		NIST
Inp	978.00		NIST
Inp	985.00		NIST
Inp	986.00		NIST
Inp	1003.00		NIST
Inp	1000.00		NIST
Inp	998.00		NIST
I	[1450.00; 1497.00]
I	1469.00		NIST
I	1450.00		NIST
I	1488.00		NIST
I	1497.00		NIST
I	1489.00		NIST
I	1470.00		NIST
I	1464.00		NIST
I	1454.00		NIST
Tboil	450.40	K	Joback Calculated Property
Tc	634.77	K	Joback Calculated Property
Tfus	259.46	K	Joback Calculated Property
Vc	0.445	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[224.90; 277.34]	J/mol×K	[450.40; 634.77]
Cp,gas	224.90	J/mol×K	450.40	Joback Calculated Property
Cp,gas	234.51	J/mol×K	481.13	Joback Calculated Property
Cp,gas	243.77	J/mol×K	511.86	Joback Calculated Property
Cp,gas	252.68	J/mol×K	542.58	Joback Calculated Property
Cp,gas	261.25	J/mol×K	573.31	Joback Calculated Property
Cp,gas	269.47	J/mol×K	604.04	Joback Calculated Property
Cp,gas	277.34	J/mol×K	634.77	Joback Calculated Property
η	[0.0003003; 0.0030315]	Pa×s	[259.46; 450.40]
η	0.0030315	Pa×s	259.46	Joback Calculated Property
η	0.0016707	Pa×s	291.28	Joback Calculated Property
η	0.0010354	Pa×s	323.11	Joback Calculated Property
η	0.0006992	Pa×s	354.93	Joback Calculated Property
η	0.0005036	Pa×s	386.75	Joback Calculated Property
η	0.0003813	Pa×s	418.58	Joback Calculated Property
η	0.0003003	Pa×s	450.40	Joback Calculated Property

Similar Compounds

Find more compounds similar to Propanoic acid, 3-chloro-, propyl ester.

Sources

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

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