Chemical Properties of Methyl 2-chlorohexadecanoate (CAS 41753-98-4)

InChI

InChI=1S/C17H33ClO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16(18)17(19)20-2/h16H,3-15H2,1-2H3

InChI Key

NYTGXUXRZXHXQK-UHFFFAOYSA-N

Formula

C17H33ClO2

SMILES

CCCCCCCCCCCCCCC(Cl)C(=O)OC

Molecular Weight¹

304.90

CAS

41753-98-4

Other Names

• 2-Chlorohexadecanoic acid, methyl ester

• 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).
• 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
ΔfH°gas	-745.45	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	44.83	kJ/mol	Joback Calculated Property
ΔvapH°	98.43	kJ/mol	Relay (1.0) Calculated Property
log10WS	-6.53		Relay (1.0) Calculated Property
logPoct/wat	5.858		Crippen Calculated Property
McVol	270.070	ml/mol	McGowan Calculated Property
Pc	1210.67	kPa	Joback Calculated Property
Inp	[2056.00; 2057.00]
Inp	2056.00		NIST
Inp	2057.00		NIST
Inp	2056.00		NIST
I	[2452.00; 2455.00]
I	2455.00		NIST
I	2455.00		NIST
I	2452.00		NIST
Tboil	571.58	K	Relay (1.0) Calculated Property
Tc	776.39	K	Relay (1.0) Calculated Property
Tfus	304.87	K	Relay (1.0) Calculated Property
Vc	1.030	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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	[759.68; 854.87]	J/mol×K	[683.77; 855.83]
Cp,gas	759.68	J/mol×K	683.77	Joback Calculated Property
Cp,gas	777.64	J/mol×K	712.45	Joback Calculated Property
Cp,gas	794.73	J/mol×K	741.12	Joback Calculated Property
Cp,gas	810.98	J/mol×K	769.80	Joback Calculated Property
Cp,gas	826.41	J/mol×K	798.48	Joback Calculated Property
Cp,gas	841.03	J/mol×K	827.15	Joback Calculated Property
Cp,gas	854.87	J/mol×K	855.83	Joback Calculated Property
η	[0.0000803; 0.0033895]	Pa×s	[338.60; 683.77]
η	0.0033895	Pa×s	338.60	Joback Calculated Property
η	0.0011550	Pa×s	396.13	Joback Calculated Property
η	0.0005172	Pa×s	453.66	Joback Calculated Property
η	0.0002775	Pa×s	511.18	Joback Calculated Property
η	0.0001688	Pa×s	568.71	Joback Calculated Property
η	0.0001126	Pa×s	626.24	Joback Calculated Property
η	0.0000803	Pa×s	683.77	Joback Calculated Property

Similar Compounds

Find more compounds similar to Methyl 2-chlorohexadecanoate.

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.