Chemical Properties of Butanoic acid, 4-chloro, 3-methylbutyl ester (CAS 62108-80-9)

InChI

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

InChI Key

AIQWYBIIHIAUKD-UHFFFAOYSA-N

Formula

C9H17ClO2

SMILES

CC(C)CCOC(=O)CCCCl

Molecular Weight¹

192.68

CAS

62108-80-9

Other Names

• 3-Methylbutyl 4-chlorobutyrate

• 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	[-5338.40; -5327.90]	kJ/mol
ΔcH°liquid	-5338.40 ± 8.40	kJ/mol	NIST
ΔcH°liquid	-5327.90	kJ/mol	NIST
ΔfG°	-223.39	kJ/mol	Joback Calculated Property
ΔfH°gas	-600.80 ± 9.60	kJ/mol	NIST
ΔfH°liquid	-656.50 ± 8.40	kJ/mol	NIST
ΔfusH°	22.53	kJ/mol	Joback Calculated Property
ΔvapH°	55.60 ± 4.20	kJ/mol	NIST
log10WS	-2.36		Crippen Calculated Property
logPoct/wat	2.595		Crippen Calculated Property
McVol	157.350	ml/mol	McGowan Calculated Property
Pc	2345.09	kPa	Joback Calculated Property
Inp	[1251.00; 1306.00]
Inp	1253.00		NIST
Inp	1251.00		NIST
Inp	1274.00		NIST
Inp	1260.00		NIST
Inp	1256.00		NIST
Inp	1306.00		NIST
Inp	1306.00		NIST
I	[1673.00; 1706.00]
I	1690.00		NIST
I	1706.00		NIST
I	1673.00		NIST
I	1680.00		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 Butanoic acid, 4-chloro, 3-methylbutyl ester.

Sources

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

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