Chemical Properties of 3-Methylbutyl 4-chlorobutyrate

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

192.69

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_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).
• 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).
• 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
ΔfH°gas	-600.80 ± 9.60	kJ/mol	NIST
ΔfH°liquid	-656.50 ± 8.40	kJ/mol	NIST
ΔfusH°	24.11	kJ/mol	Joback Calculated Property
ΔvapH°	55.60 ± 4.20	kJ/mol	NIST
IE	10.05	eV	Relay (1.0) Calculated Property
log10WS	-2.75		Relay (1.0) Calculated Property
logPoct/wat	2.595		Crippen Calculated Property
McVol	157.350	ml/mol	McGowan Calculated Property
Pc	2254.67	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	489.45	K	Relay (1.0) Calculated Property
Tc	681.89	K	Relay (1.0) Calculated Property
Tfus	202.62	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them 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 3-Methylbutyl 4-chlorobutyrate.

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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