Chemical Properties of Butyl 4-chlorobutanoate

InChI

InChI=1S/C8H15ClO2/c1-2-3-7-11-8(10)5-4-6-9/h2-7H2,1H3

InChI Key

GKEGQZISIPAXAX-UHFFFAOYSA-N

Formula

C8H15ClO2

SMILES

CCCCOC(=O)CCCCl

Molecular Weight¹

178.66

Other Names

• Butyl 4-chlorobutanoate
• n-Butyl-4-chlorobutyrate

• ω : Acentric Factor.
• 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).
• 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.
• 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
ω	0.5812		Relay (1.0) Calculated Property
ΔcH°liquid	[-4697.40; -4688.60]	kJ/mol
ΔcH°liquid	-4697.40 ± 8.40	kJ/mol	NIST
ΔcH°liquid	-4688.60	kJ/mol	NIST
ΔfG°	-305.82	kJ/mol	Joback Calculated Property
ΔfH°gas	-563.60 ± 9.60	kJ/mol	NIST
ΔfH°liquid	-618.00 ± 8.40	kJ/mol	NIST
ΔfusH°	25.04	kJ/mol	Joback Calculated Property
ΔvapH°	54.40 ± 4.20	kJ/mol	NIST
IE	10.08	eV	Relay (1.0) Calculated Property
log10WS	-2.30		Relay (1.0) Calculated Property
logPoct/wat	2.349		Crippen Calculated Property
McVol	143.260	ml/mol	McGowan Calculated Property
Pc	2455.60	kPa	Joback Calculated Property
Inp	[1202.00; 1216.00]
Inp	1215.00		NIST
Inp	1216.00		NIST
Inp	1202.00		NIST
Inp	1208.00		NIST
Tboil	478.63	K	Relay (1.0) Calculated Property
Tc	670.77	K	Relay (1.0) Calculated Property
Tfus	200.43	K	Relay (1.0) Calculated Property
Vc	0.539	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[303.08; 368.56]	J/mol×K	[478.29; 656.13]
Cp,gas	303.08	J/mol×K	478.29	Joback Calculated Property
Cp,gas	315.21	J/mol×K	507.93	Joback Calculated Property
Cp,gas	326.85	J/mol×K	537.57	Joback Calculated Property
Cp,gas	338.00	J/mol×K	567.21	Joback Calculated Property
Cp,gas	348.67	J/mol×K	596.85	Joback Calculated Property
Cp,gas	358.85	J/mol×K	626.49	Joback Calculated Property
Cp,gas	368.56	J/mol×K	656.13	Joback Calculated Property
η	[0.0002454; 0.0051621]	Pa×s	[252.17; 478.29]
η	0.0051621	Pa×s	252.17	Joback Calculated Property
η	0.0022336	Pa×s	289.86	Joback Calculated Property
η	0.0011720	Pa×s	327.54	Joback Calculated Property
η	0.0007025	Pa×s	365.23	Joback Calculated Property
η	0.0004634	Pa×s	402.92	Joback Calculated Property
η	0.0003282	Pa×s	440.60	Joback Calculated Property
η	0.0002454	Pa×s	478.29	Joback Calculated Property

Similar Compounds

Find more compounds similar to Butyl 4-chlorobutanoate.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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