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_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
ΔfH°gas	-699.08	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	43.17	kJ/mol	Joback Calculated Property
ΔvapH°	88.06	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	1381.96	kPa	Joback Calculated Property
Inp	[1897.00; 1910.00]
Inp	1897.00		NIST
Inp	1910.00		NIST
Inp	1897.00		NIST
Inp	1903.00		NIST
Inp	1904.00		NIST
Inp	1909.00		NIST
Inp	1910.00		NIST
Inp	1904.00		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	766.21	K	Relay (1.0) Calculated Property
Tfus	275.75	K	Relay (1.0) Calculated Property
Vc	0.925	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	[647.49; 737.51]	J/mol×K	[638.45; 808.29]
Cp,gas	647.49	J/mol×K	638.45	Joback Calculated Property
Cp,gas	664.36	J/mol×K	666.76	Joback Calculated Property
Cp,gas	680.46	J/mol×K	695.06	Joback Calculated Property
Cp,gas	695.81	J/mol×K	723.37	Joback Calculated Property
Cp,gas	710.43	J/mol×K	751.68	Joback Calculated Property
Cp,gas	724.32	J/mol×K	779.98	Joback Calculated Property
Cp,gas	737.51	J/mol×K	808.29	Joback Calculated Property
η	[0.0001131; 0.0031328]	Pa×s	[331.06; 638.45]
η	0.0031328	Pa×s	331.06	Joback Calculated Property
η	0.0012428	Pa×s	382.29	Joback Calculated Property
η	0.0006135	Pa×s	433.52	Joback Calculated Property
η	0.0003516	Pa×s	484.75	Joback Calculated Property
η	0.0002241	Pa×s	535.99	Joback Calculated Property
η	0.0001545	Pa×s	587.22	Joback Calculated Property
η	0.0001131	Pa×s	638.45	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

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.
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