Chemical Properties of ClCH2(CH2)3C(O)OCH3 (CAS 14273-86-0)

InChI

InChI=1S/C6H11ClO2/c1-9-6(8)4-2-3-5-7/h2-5H2,1H3

InChI Key

JAVHFVJOWIQHII-UHFFFAOYSA-N

Formula

C6H11ClO2

SMILES

COC(=O)CCCCCl

Molecular Weight¹

150.60

CAS

14273-86-0

Other Names

• Methyl «delta»-chlorovalerate
• Pentanoic acid, 5-chloro-, methyl ester
• Valeric acid, 5-chloro-, methyl ester
• Methyl 5-chlorovalerate
• Methyl 5-chloropentanoate
• 5-Chlorovaleric acid, methyl ester
• 5-Chloropentanoic acid, methyl ester

• ω : Acentric Factor.
• 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_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).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.4881		Relay (1.0) Calculated Property
ΔfG°	-246.21	kJ/mol	Joback Calculated Property
ΔfH°gas	-499.29	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	18.28	kJ/mol	Joback Calculated Property
ΔvapH°	56.14	kJ/mol	Relay (1.0) Calculated Property
IE	10.32	eV	Relay (1.0) Calculated Property
log10WS	-1.51		Relay (1.0) Calculated Property
logPoct/wat	1.569		Crippen Calculated Property
McVol	115.080	ml/mol	McGowan Calculated Property
Pc	3138.51	kPa	Joback Calculated Property
Inp	[1045.00; 1061.80]
Inp	1045.00		NIST
Inp	1057.00		NIST
Inp	1061.80		NIST
Inp	1045.00		NIST
Inp	1061.80		NIST
I	[1556.00; 1631.00]
I	1556.00		NIST
I	1597.00		NIST
I	1631.00		NIST
I	1556.00		NIST
Tboil	453.37	K	Relay (1.0) Calculated Property
Tc	644.17	K	Relay (1.0) Calculated Property
Tfus	221.33	K	Relay (1.0) Calculated Property
Vc	0.416	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[224.90; 277.34]	J/mol×K	[450.40; 634.77]
Cp,gas	224.90	J/mol×K	450.40	Joback Calculated Property
Cp,gas	234.51	J/mol×K	481.13	Joback Calculated Property
Cp,gas	243.77	J/mol×K	511.86	Joback Calculated Property
Cp,gas	252.68	J/mol×K	542.58	Joback Calculated Property
Cp,gas	261.25	J/mol×K	573.31	Joback Calculated Property
Cp,gas	269.47	J/mol×K	604.04	Joback Calculated Property
Cp,gas	277.34	J/mol×K	634.77	Joback Calculated Property
η	[0.0003003; 0.0030315]	Pa×s	[259.46; 450.40]
η	0.0030315	Pa×s	259.46	Joback Calculated Property
η	0.0016707	Pa×s	291.28	Joback Calculated Property
η	0.0010354	Pa×s	323.11	Joback Calculated Property
η	0.0006992	Pa×s	354.93	Joback Calculated Property
η	0.0005036	Pa×s	386.75	Joback Calculated Property
η	0.0003813	Pa×s	418.58	Joback Calculated Property
η	0.0003003	Pa×s	450.40	Joback Calculated Property

Similar Compounds

Find more compounds similar to ClCH2(CH2)3C(O)OCH3.

Sources

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

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