Chemical Properties of Propyl 4-chlorobutanoate

InChI

InChI=1S/C7H13ClO2/c1-2-6-10-7(9)4-3-5-8/h2-6H2,1H3

InChI Key

RGFHUYWGQUDWDL-UHFFFAOYSA-N

Formula

C7H13ClO2

SMILES

CCCOC(=O)CCCCl

Molecular Weight¹

164.63

Other Names

• Propyl 4-chlorobutanoate
• n-Propyl-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_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	0.5397		Relay (1.0) Calculated Property
ΔcH°liquid	[-4044.70; -4037.00]	kJ/mol
ΔcH°liquid	-4044.70 ± 8.40	kJ/mol	NIST
ΔcH°liquid	-4037.00	kJ/mol	NIST
ΔfH°gas	-538.10 ± 9.60	kJ/mol	NIST
ΔfH°liquid	-591.60 ± 8.40	kJ/mol	NIST
ΔfusH°	22.45	kJ/mol	Joback Calculated Property
ΔvapH°	53.60 ± 4.20	kJ/mol	NIST
IE	10.15	eV	Relay (1.0) Calculated Property
log10WS	-1.82		Relay (1.0) Calculated Property
logPoct/wat	1.959		Crippen Calculated Property
McVol	129.170	ml/mol	McGowan Calculated Property
Pc	2707.03	kPa	Joback Calculated Property
Inp	[1100.00; 1117.00]
Inp	1117.00		NIST
Inp	1117.00		NIST
Inp	1102.00		NIST
Inp	1100.00		NIST
Inp	1110.00		NIST
Tboil	463.41	K	Relay (1.0) Calculated Property
Tc	652.09	K	Relay (1.0) Calculated Property
Tfus	204.74	K	Relay (1.0) Calculated Property
Vc	0.485	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[261.17; 321.10]	J/mol×K	[455.41; 634.81]
Cp,gas	261.17	J/mol×K	455.41	Joback Calculated Property
Cp,gas	272.25	J/mol×K	485.31	Joback Calculated Property
Cp,gas	282.89	J/mol×K	515.21	Joback Calculated Property
Cp,gas	293.10	J/mol×K	545.11	Joback Calculated Property
Cp,gas	302.86	J/mol×K	575.01	Joback Calculated Property
Cp,gas	312.20	J/mol×K	604.91	Joback Calculated Property
Cp,gas	321.10	J/mol×K	634.81	Joback Calculated Property
η	[0.0002662; 0.0053076]	Pa×s	[240.90; 455.41]
η	0.0053076	Pa×s	240.90	Joback Calculated Property
η	0.0023351	Pa×s	276.65	Joback Calculated Property
η	0.0012397	Pa×s	312.40	Joback Calculated Property
η	0.0007496	Pa×s	348.15	Joback Calculated Property
η	0.0004978	Pa×s	383.91	Joback Calculated Property
η	0.0003544	Pa×s	419.66	Joback Calculated Property
η	0.0002662	Pa×s	455.41	Joback Calculated Property

Similar Compounds

Find more compounds similar to Propyl 4-chlorobutanoate.

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.
These property values are available through the Cheméo API. A free account gives you an access key.