Chemical Properties of Isopentyl 2-chloropropanoate (CAS 62108-69-4)

InChI

InChI=1S/C8H15ClO2/c1-6(2)4-5-11-8(10)7(3)9/h6-7H,4-5H2,1-3H3

InChI Key

KNERPDYJMKKKNT-UHFFFAOYSA-N

Formula

C8H15ClO2

SMILES

CC(C)CCOC(=O)C(C)Cl

Molecular Weight¹

178.66

CAS

62108-69-4

Other Names

• Propanoic acid, 2-chloro, 3-methylbutyl ester
• 3-Methylbutyl 2-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	[-4688.20; -4679.40]	kJ/mol
ΔcH°liquid	-4688.20 ± 8.40	kJ/mol	NIST
ΔcH°liquid	-4679.40	kJ/mol	NIST
ΔfG°	-234.25	kJ/mol	Joback Calculated Property
ΔfH°gas	-574.90 ± 9.60	kJ/mol	NIST
ΔfH°liquid	-627.20 ± 8.40	kJ/mol	NIST
ΔfusH°	16.41	kJ/mol	Joback Calculated Property
ΔvapH°	52.30 ± 4.20	kJ/mol	NIST
log10WS	-2.06		Crippen Calculated Property
logPoct/wat	2.203		Crippen Calculated Property
McVol	143.260	ml/mol	McGowan Calculated Property
Pc	2600.43	kPa	Joback Calculated Property
Inp	[1075.00; 1097.00]
Inp	1080.00		NIST
Inp	1075.00		NIST
Inp	1097.00		NIST
Inp	1092.00		NIST
Inp	1089.00		NIST
Inp	1090.00		NIST
Inp	1087.00		NIST
I	[1441.00; 1458.00]
I	1444.00		NIST
I	1458.00		NIST
I	1443.00		NIST
I	1443.00		NIST
I	1441.00		NIST
Tboil	495.28	K	Joback Calculated Property
Tc	683.89	K	Joback Calculated Property
Tfus	252.00	K	Joback Calculated Property
Vc	0.544	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[308.11; 375.47]	J/mol×K	[495.28; 683.89]
Cp,gas	308.11	J/mol×K	495.28	Joback Calculated Property
Cp,gas	320.63	J/mol×K	526.72	Joback Calculated Property
Cp,gas	332.62	J/mol×K	558.15	Joback Calculated Property
Cp,gas	344.09	J/mol×K	589.59	Joback Calculated Property
Cp,gas	355.06	J/mol×K	621.02	Joback Calculated Property
Cp,gas	365.51	J/mol×K	652.46	Joback Calculated Property
Cp,gas	375.47	J/mol×K	683.89	Joback Calculated Property
η	[0.0002346; 0.0061890]	Pa×s	[252.00; 495.28]
η	0.0061890	Pa×s	252.00	Joback Calculated Property
η	0.0024580	Pa×s	292.55	Joback Calculated Property
η	0.0012223	Pa×s	333.09	Joback Calculated Property
η	0.0007073	Pa×s	373.64	Joback Calculated Property
η	0.0004556	Pa×s	414.19	Joback Calculated Property
η	0.0003174	Pa×s	454.73	Joback Calculated Property
η	0.0002346	Pa×s	495.28	Joback Calculated Property

Similar Compounds

Find more compounds similar to Isopentyl 2-chloropropanoate.

Sources

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

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