Chemical Properties of 3-Chloropropionic acid, dodecyl ester (CAS 74316-16-8)

InChI

InChI=1S/C15H29ClO2/c1-2-3-4-5-6-7-8-9-10-11-14-18-15(17)12-13-16/h2-14H2,1H3

InChI Key

NCUROSDPAOGNHW-UHFFFAOYSA-N

Formula

C15H29ClO2

SMILES

CCCCCCCCCCCCOC(=O)CCCl

Molecular Weight¹

276.84

CAS

74316-16-8

Other Names

• Propanoic acid, 3-chloro, dodecyl ester
• Dodecyl 3-chloropropanoate

• 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	0.8370		Relay (1.0) Calculated Property
ΔfG°	-170.43	kJ/mol	Joback Calculated Property
ΔfH°gas	-699.08	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	41.59	kJ/mol	Joback Calculated Property
ΔvapH°	86.45	kJ/mol	Relay (1.0) Calculated Property
IE	9.84	eV	Relay (1.0) Calculated Property
log10WS	-5.53		Relay (1.0) Calculated Property
logPoct/wat	5.079		Crippen Calculated Property
McVol	241.890	ml/mol	McGowan Calculated Property
Pc	1425.07	kPa	Joback Calculated Property
Inp	[1897.00; 1910.00]
Inp	1897.00		NIST
Inp	1903.00		NIST
Inp	1904.00		NIST
Inp	1904.00		NIST
Inp	1909.00		NIST
Inp	1910.00		NIST
Inp	1904.00		NIST
Inp	1897.00		NIST
Inp	1910.00		NIST
I	[2368.00; 2397.00]
I	2368.00		NIST
I	2374.00		NIST
I	2387.00		NIST
I	2397.00		NIST
I	2381.00		NIST
I	2368.00		NIST
Tboil	575.67	K	Relay (1.0) Calculated Property
Tc	763.49	K	Relay (1.0) Calculated Property
Tfus	278.75	K	Relay (1.0) Calculated Property
Vc	0.922	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[655.00; 744.13]	J/mol×K	[656.32; 828.65]
Cp,gas	655.00	J/mol×K	656.32	Joback Calculated Property
Cp,gas	671.67	J/mol×K	685.04	Joback Calculated Property
Cp,gas	687.59	J/mol×K	713.76	Joback Calculated Property
Cp,gas	702.78	J/mol×K	742.49	Joback Calculated Property
Cp,gas	717.25	J/mol×K	771.21	Joback Calculated Property
Cp,gas	731.03	J/mol×K	799.93	Joback Calculated Property
Cp,gas	744.13	J/mol×K	828.65	Joback Calculated Property
η	[0.0001250; 0.0021007]	Pa×s	[360.89; 656.32]
η	0.0021007	Pa×s	360.89	Joback Calculated Property
η	0.0009897	Pa×s	410.13	Joback Calculated Property
η	0.0005479	Pa×s	459.37	Joback Calculated Property
η	0.0003401	Pa×s	508.60	Joback Calculated Property
η	0.0002297	Pa×s	557.84	Joback Calculated Property
η	0.0001653	Pa×s	607.08	Joback Calculated Property
η	0.0001250	Pa×s	656.32	Joback Calculated Property

Similar Compounds

Find more compounds similar to 3-Chloropropionic acid, dodecyl ester.

Sources

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

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