Chemical Properties of Propanoic acid, 2-chloro, dodecyl ester

InChI

InChI=1S/C15H29ClO2/c1-3-4-5-6-7-8-9-10-11-12-13-18-15(17)14(2)16/h14H,3-13H2,1-2H3

InChI Key

ZWBOULTZYRWSPZ-UHFFFAOYSA-N

Formula

C15H29ClO2

SMILES

CCCCCCCCCCCCOC(=O)C(C)Cl

Molecular Weight¹

276.84

Other Names

• Dodecyl 2-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	0.7905		Relay (1.0) Calculated Property
ΔfH°gas	-715.00	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	39.65	kJ/mol	Joback Calculated Property
ΔvapH°	83.41	kJ/mol	Relay (1.0) Calculated Property
IE	9.99	eV	Relay (1.0) Calculated Property
log10WS	-5.60		Relay (1.0) Calculated Property
logPoct/wat	5.078		Crippen Calculated Property
McVol	241.890	ml/mol	McGowan Calculated Property
Pc	1390.22	kPa	Joback Calculated Property
Inp	[1817.00; 1840.00]
Inp	1817.00		NIST
Inp	1825.00		NIST
Inp	1830.00		NIST
Inp	1832.00		NIST
Inp	1831.00		NIST
Inp	1835.00		NIST
Inp	1840.00		NIST
Inp	1833.00		NIST
Inp	1817.00		NIST
Inp	1835.00		NIST
I	[2211.00; 2248.00]
I	2211.00		NIST
I	2214.00		NIST
I	2226.00		NIST
I	2234.00		NIST
I	2248.00		NIST
I	2211.00		NIST
Tboil	556.41	K	Relay (1.0) Calculated Property
Tc	751.71	K	Relay (1.0) Calculated Property
Tfus	279.93	K	Relay (1.0) Calculated Property
Vc	0.928	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	[647.88; 739.14]	J/mol×K	[638.01; 810.25]
Cp,gas	647.88	J/mol×K	638.01	Joback Calculated Property
Cp,gas	665.03	J/mol×K	666.72	Joback Calculated Property
Cp,gas	681.38	J/mol×K	695.42	Joback Calculated Property
Cp,gas	696.95	J/mol×K	724.13	Joback Calculated Property
Cp,gas	711.76	J/mol×K	752.83	Joback Calculated Property
Cp,gas	725.81	J/mol×K	781.54	Joback Calculated Property
Cp,gas	739.14	J/mol×K	810.25	Joback Calculated Property
η	[0.0001052; 0.0042844]	Pa×s	[316.06; 638.01]
η	0.0042844	Pa×s	316.06	Joback Calculated Property
η	0.0014753	Pa×s	369.72	Joback Calculated Property
η	0.0006656	Pa×s	423.38	Joback Calculated Property
η	0.0003592	Pa×s	477.03	Joback Calculated Property
η	0.0002196	Pa×s	530.69	Joback Calculated Property
η	0.0001470	Pa×s	584.35	Joback Calculated Property
η	0.0001052	Pa×s	638.01	Joback Calculated Property

Similar Compounds

Find more compounds similar to Propanoic acid, 2-chloro, 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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