Chemical Properties of Dodecyl 4-chlorobutanoate

InChI

InChI=1S/C16H31ClO2/c1-2-3-4-5-6-7-8-9-10-11-15-19-16(18)13-12-14-17/h2-15H2,1H3

InChI Key

AMCRHNDYMZXQRU-UHFFFAOYSA-N

Formula

C16H31ClO2

SMILES

CCCCCCCCCCCCOC(=O)CCCCl

Molecular Weight¹

290.87

Other Names

• Butanoic acid, 4-chloro, dodecyl 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	0.8713		Relay (1.0) Calculated Property
ΔfH°gas	-722.33	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	45.76	kJ/mol	Joback Calculated Property
ΔvapH°	90.30	kJ/mol	Relay (1.0) Calculated Property
IE	9.89	eV	Relay (1.0) Calculated Property
log10WS	-5.71		Relay (1.0) Calculated Property
logPoct/wat	5.470		Crippen Calculated Property
McVol	255.980	ml/mol	McGowan Calculated Property
Pc	1288.36	kPa	Joback Calculated Property
Inp	[1991.00; 2016.00]
Inp	1991.00		NIST
Inp	2001.00		NIST
Inp	2010.00		NIST
Inp	2012.00		NIST
Inp	2014.00		NIST
Inp	2016.00		NIST
Inp	1991.00		NIST
Inp	2016.00		NIST
Tboil	581.46	K	Relay (1.0) Calculated Property
Tc	774.67	K	Relay (1.0) Calculated Property
Tfus	272.10	K	Relay (1.0) Calculated Property
Vc	0.980	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	[702.75; 794.94]	J/mol×K	[661.33; 831.11]
Cp,gas	702.75	J/mol×K	661.33	Joback Calculated Property
Cp,gas	720.06	J/mol×K	689.63	Joback Calculated Property
Cp,gas	736.57	J/mol×K	717.92	Joback Calculated Property
Cp,gas	752.30	J/mol×K	746.22	Joback Calculated Property
Cp,gas	767.26	J/mol×K	774.51	Joback Calculated Property
Cp,gas	781.47	J/mol×K	802.81	Joback Calculated Property
Cp,gas	794.94	J/mol×K	831.11	Joback Calculated Property
η	[0.0000992; 0.0028300]	Pa×s	[342.33; 661.33]
η	0.0028300	Pa×s	342.33	Joback Calculated Property
η	0.0011123	Pa×s	395.50	Joback Calculated Property
η	0.0005455	Pa×s	448.66	Joback Calculated Property
η	0.0003111	Pa×s	501.83	Joback Calculated Property
η	0.0001976	Pa×s	555.00	Joback Calculated Property
η	0.0001359	Pa×s	608.16	Joback Calculated Property
η	0.0000992	Pa×s	661.33	Joback Calculated Property

Similar Compounds

Find more compounds similar to Dodecyl 4-chlorobutanoate.

Sources

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

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