Chemical Properties of 3-Chlropropionic acid, undecyl ester (CAS 74306-07-3)

InChI

InChI=1S/C14H27ClO2/c1-2-3-4-5-6-7-8-9-10-13-17-14(16)11-12-15/h2-13H2,1H3

InChI Key

MEBJHQDVCFHKMD-UHFFFAOYSA-N

Formula

C14H27ClO2

SMILES

CCCCCCCCCCCOC(=O)CCCl

Molecular Weight¹

262.82

CAS

74306-07-3

Other Names

• Propanoic acid, 3-chloro, undecyl 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.
• 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	0.8018		Relay (1.0) Calculated Property
ΔfH°gas	-678.09	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	40.58	kJ/mol	Joback Calculated Property
ΔvapH°	83.66	kJ/mol	Relay (1.0) Calculated Property
IE	9.83	eV	Relay (1.0) Calculated Property
log10WS	-5.18		Relay (1.0) Calculated Property
logPoct/wat	4.689		Crippen Calculated Property
McVol	227.800	ml/mol	McGowan Calculated Property
Pc	1486.14	kPa	Joback Calculated Property
Inp	[1790.00; 1810.00]
Inp	1790.00		NIST
Inp	1807.00		NIST
Inp	1790.00		NIST
Inp	1797.00		NIST
Inp	1801.00		NIST
Inp	1803.00		NIST
Inp	1807.00		NIST
Inp	1810.00		NIST
I	[2269.00; 2308.00]
I	2269.00		NIST
I	2274.00		NIST
I	2286.00		NIST
I	2297.00		NIST
I	2308.00		NIST
I	2269.00		NIST
Tboil	567.25	K	Relay (1.0) Calculated Property
Tc	756.54	K	Relay (1.0) Calculated Property
Tfus	269.08	K	Relay (1.0) Calculated Property
Vc	0.870	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	[593.55; 681.18]	J/mol×K	[615.57; 785.85]
Cp,gas	593.55	J/mol×K	615.57	Joback Calculated Property
Cp,gas	609.94	J/mol×K	643.95	Joback Calculated Property
Cp,gas	625.60	J/mol×K	672.33	Joback Calculated Property
Cp,gas	640.54	J/mol×K	700.71	Joback Calculated Property
Cp,gas	654.77	J/mol×K	729.09	Joback Calculated Property
Cp,gas	668.32	J/mol×K	757.47	Joback Calculated Property
Cp,gas	681.18	J/mol×K	785.85	Joback Calculated Property
η	[0.0001284; 0.0034473]	Pa×s	[319.79; 615.57]
η	0.0034473	Pa×s	319.79	Joback Calculated Property
η	0.0013813	Pa×s	369.09	Joback Calculated Property
η	0.0006866	Pa×s	418.38	Joback Calculated Property
η	0.0003955	Pa×s	467.68	Joback Calculated Property
η	0.0002531	Pa×s	516.98	Joback Calculated Property
η	0.0001750	Pa×s	566.27	Joback Calculated Property
η	0.0001284	Pa×s	615.57	Joback Calculated Property

Similar Compounds

Find more compounds similar to 3-Chlropropionic acid, undecyl 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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