Chemical Properties of Octadecyl 2-chlorobutanoate

InChI

InChI=1S/C22H43ClO2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25-22(24)21(23)4-2/h21H,3-20H2,1-2H3

InChI Key

IQOGLHRADJQOGE-UHFFFAOYSA-N

Formula

C22H43ClO2

SMILES

CCCCCCCCCCCCCCCCCCOC(=O)C(Cl)CC

Molecular Weight¹

375.04

Other Names

• Butanoic acid, 2-chloro, octadecyl 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.
• 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	1.0301		Relay (1.0) Calculated Property
ΔfH°gas	-867.53	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	57.78	kJ/mol	Joback Calculated Property
ΔvapH°	111.44	kJ/mol	Relay (1.0) Calculated Property
IE	10.01	eV	Relay (1.0) Calculated Property
log10WS	-7.89		Relay (1.0) Calculated Property
logPoct/wat	7.809		Crippen Calculated Property
McVol	340.520	ml/mol	McGowan Calculated Property
Pc	888.94	kPa	Joback Calculated Property
Inp	[2514.00; 2519.00]
Inp	2519.00		NIST
Inp	2514.00		NIST
Inp	2519.00		NIST
Tboil	608.52	K	Relay (1.0) Calculated Property
Tc	815.35	K	Relay (1.0) Calculated Property
Tfus	308.67	K	Relay (1.0) Calculated Property
Vc	1.314	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	[1057.80; 1161.51]	J/mol×K	[798.17; 979.02]
Cp,gas	1057.80	J/mol×K	798.17	Joback Calculated Property
Cp,gas	1077.70	J/mol×K	828.31	Joback Calculated Property
Cp,gas	1096.51	J/mol×K	858.45	Joback Calculated Property
Cp,gas	1114.26	J/mol×K	888.59	Joback Calculated Property
Cp,gas	1130.99	J/mol×K	918.73	Joback Calculated Property
Cp,gas	1146.73	J/mol×K	948.88	Joback Calculated Property
Cp,gas	1161.51	J/mol×K	979.02	Joback Calculated Property
η	[0.0000389; 0.0017632]	Pa×s	[394.95; 798.17]
η	0.0017632	Pa×s	394.95	Joback Calculated Property
η	0.0005884	Pa×s	462.15	Joback Calculated Property
η	0.0002594	Pa×s	529.36	Joback Calculated Property
η	0.0001376	Pa×s	596.56	Joback Calculated Property
η	0.0000830	Pa×s	663.76	Joback Calculated Property
η	0.0000549	Pa×s	730.97	Joback Calculated Property
η	0.0000389	Pa×s	798.17	Joback Calculated Property

Similar Compounds

Find more compounds similar to Octadecyl 2-chlorobutanoate.

Sources

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

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