Chemical Properties of Fumaric acid, 2,4-dichlorophenyl hex-4-yn-3-yl ester

InChI

InChI=1S/C16H14Cl2O4/c1-3-5-12(4-2)21-15(19)8-9-16(20)22-14-7-6-11(17)10-13(14)18/h6-10,12H,4H2,1-2H3/b9-8+

InChI Key

MFZOERMALNZLAH-CMDGGOBGSA-N

Formula

C16H14Cl2O4

SMILES

CC#CC(CC)OC(=O)C=CC(=O)Oc1ccc(Cl)cc1Cl

Molecular Weight¹

341.19

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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).
• 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
ΔfG°	-34.13	kJ/mol	Joback Calculated Property
ΔfH°gas	-296.82	kJ/mol	Joback Calculated Property
ΔfusH°	44.23	kJ/mol	Joback Calculated Property
ΔvapH°	83.61	kJ/mol	Joback Calculated Property
log10WS	-5.13		Crippen Calculated Property
logPoct/wat	3.800		Crippen Calculated Property
McVol	239.000	ml/mol	McGowan Calculated Property
Pc	2038.23	kPa	Joback Calculated Property
Inp	[2335.00; 2335.00]
Inp	2335.00		NIST
Inp	2335.00		NIST
Tboil	842.28	K	Joback Calculated Property
Tc	1079.45	K	Joback Calculated Property
Tfus	611.72	K	Joback Calculated Property
Vc	0.905	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[620.10; 675.10]	J/mol×K	[842.28; 1079.45]
Cp,gas	620.10	J/mol×K	842.28	Joback Calculated Property
Cp,gas	631.77	J/mol×K	881.81	Joback Calculated Property
Cp,gas	642.41	J/mol×K	921.34	Joback Calculated Property
Cp,gas	652.03	J/mol×K	960.86	Joback Calculated Property
Cp,gas	660.67	J/mol×K	1000.39	Joback Calculated Property
Cp,gas	668.35	J/mol×K	1039.92	Joback Calculated Property
Cp,gas	675.10	J/mol×K	1079.45	Joback Calculated Property

Similar Compounds

Find more compounds similar to Fumaric acid, 2,4-dichlorophenyl hex-4-yn-3-yl ester.

Sources

• 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.