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_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
ΔfH°gas	-499.29	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	19.86	kJ/mol	Joback Calculated Property
ΔvapH°	57.82	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	2999.15	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	649.65	K	Relay (1.0) Calculated Property
Tfus	217.81	K	Relay (1.0) Calculated Property
Vc	0.422	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	[221.42; 275.13]	J/mol×K	[432.53; 613.42]
Cp,gas	221.42	J/mol×K	432.53	Joback Calculated Property
Cp,gas	231.32	J/mol×K	462.68	Joback Calculated Property
Cp,gas	240.85	J/mol×K	492.83	Joback Calculated Property
Cp,gas	249.99	J/mol×K	522.97	Joback Calculated Property
Cp,gas	258.75	J/mol×K	553.12	Joback Calculated Property
Cp,gas	267.13	J/mol×K	583.27	Joback Calculated Property
Cp,gas	275.13	J/mol×K	613.42	Joback Calculated Property
η	[0.0002855; 0.0053702]	Pa×s	[229.63; 432.53]
η	0.0053702	Pa×s	229.63	Joback Calculated Property
η	0.0024059	Pa×s	263.45	Joback Calculated Property
η	0.0012939	Pa×s	297.26	Joback Calculated Property
η	0.0007898	Pa×s	331.08	Joback Calculated Property
η	0.0005283	Pa×s	364.90	Joback Calculated Property
η	0.0003784	Pa×s	398.71	Joback Calculated Property
η	0.0002855	Pa×s	432.53	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

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.