Chemical Properties of Fumaric acid, 2-methylpentyl 2,3-dichlorophenyl ester

InChI

InChI=1S/C16H18Cl2O4/c1-3-5-11(2)10-21-14(19)8-9-15(20)22-13-7-4-6-12(17)16(13)18/h4,6-9,11H,3,5,10H2,1-2H3/b9-8+

InChI Key

ZFIZWJDXTWUCJJ-CMDGGOBGSA-N

Formula

C16H18Cl2O4

SMILES

CCCC(C)COC(=O)C=CC(=O)Oc1cccc(Cl)c1Cl

Molecular Weight¹

345.22

• 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.
• 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	0.8054		Relay (1.0) Calculated Property
ΔfG°	-236.93	kJ/mol	Joback Calculated Property
ΔfH°gas	-725.19	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	41.11	kJ/mol	Joback Calculated Property
ΔvapH°	96.82	kJ/mol	Relay (1.0) Calculated Property
IE	9.01	eV	Relay (1.0) Calculated Property
log10WS	-5.92		Relay (1.0) Calculated Property
logPoct/wat	4.434		Crippen Calculated Property
McVol	247.600	ml/mol	McGowan Calculated Property
Pc	1772.85	kPa	Joback Calculated Property
Inp	[2361.00; 2361.00]
Inp	2361.00		NIST
Inp	2361.00		NIST
Tboil	615.77	K	Relay (1.0) Calculated Property
Tc	849.21	K	Relay (1.0) Calculated Property
Tfus	306.64	K	Relay (1.0) Calculated Property
Vc	0.862	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[672.75; 733.05]	J/mol×K	[833.28; 1052.04]
Cp,gas	672.75	J/mol×K	833.28	Joback Calculated Property
Cp,gas	685.18	J/mol×K	869.74	Joback Calculated Property
Cp,gas	696.62	J/mol×K	906.20	Joback Calculated Property
Cp,gas	707.11	J/mol×K	942.66	Joback Calculated Property
Cp,gas	716.66	J/mol×K	979.12	Joback Calculated Property
Cp,gas	725.30	J/mol×K	1015.58	Joback Calculated Property
Cp,gas	733.05	J/mol×K	1052.04	Joback Calculated Property
η	[0.0000583; 0.0005311]	Pa×s	[505.62; 833.28]
η	0.0005311	Pa×s	505.62	Joback Calculated Property
η	0.0003071	Pa×s	560.23	Joback Calculated Property
η	0.0001957	Pa×s	614.84	Joback Calculated Property
η	0.0001343	Pa×s	669.45	Joback Calculated Property
η	0.0000975	Pa×s	724.06	Joback Calculated Property
η	0.0000740	Pa×s	778.67	Joback Calculated Property
η	0.0000583	Pa×s	833.28	Joback Calculated Property

Similar Compounds

Find more compounds similar to Fumaric acid, 2-methylpentyl 2,3-dichlorophenyl 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.