Chemical Properties of Fumaric acid, 2-isopropoxyphenyl 3-chlorophenyl ester

InChI

InChI=1S/C19H17ClO5/c1-13(2)23-16-8-3-4-9-17(16)25-19(22)11-10-18(21)24-15-7-5-6-14(20)12-15/h3-13H,1-2H3/b11-10+

InChI Key

YOTRBBPIXZZBIE-ZHACJKMWSA-N

Formula

C19H17ClO5

SMILES

CC(C)Oc1ccccc1OC(=O)C=CC(=O)Oc1cccc(Cl)c1

Molecular Weight¹

360.79

• 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	0.8339		Relay (1.0) Calculated Property
ΔfG°	-192.33	kJ/mol	Joback Calculated Property
ΔfH°gas	-665.66	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	39.91	kJ/mol	Joback Calculated Property
ΔvapH°	108.23	kJ/mol	Relay (1.0) Calculated Property
IE	8.49	eV	Relay (1.0) Calculated Property
log10WS	-5.15		Relay (1.0) Calculated Property
logPoct/wat	4.194		Crippen Calculated Property
McVol	259.740	ml/mol	McGowan Calculated Property
Pc	1870.79	kPa	Joback Calculated Property
Inp	[2563.00; 2563.00]
Inp	2563.00		NIST
Inp	2563.00		NIST
Tboil	647.22	K	Relay (1.0) Calculated Property
Tc	913.72	K	Relay (1.0) Calculated Property
Tfus	355.67	K	Relay (1.0) Calculated Property
Vc	0.924	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[744.58; 795.11]	J/mol×K	[913.59; 1151.23]
Cp,gas	744.58	J/mol×K	913.59	Joback Calculated Property
Cp,gas	756.18	J/mol×K	953.20	Joback Calculated Property
Cp,gas	766.46	J/mol×K	992.80	Joback Calculated Property
Cp,gas	775.46	J/mol×K	1032.41	Joback Calculated Property
Cp,gas	783.22	J/mol×K	1072.01	Joback Calculated Property
Cp,gas	789.75	J/mol×K	1111.62	Joback Calculated Property
Cp,gas	795.11	J/mol×K	1151.23	Joback Calculated Property
η	[0.0000341; 0.0002973]	Pa×s	[558.16; 913.59]
η	0.0002973	Pa×s	558.16	Joback Calculated Property
η	0.0001743	Pa×s	617.40	Joback Calculated Property
η	0.0001122	Pa×s	676.64	Joback Calculated Property
η	0.0000775	Pa×s	735.88	Joback Calculated Property
η	0.0000566	Pa×s	795.11	Joback Calculated Property
η	0.0000431	Pa×s	854.35	Joback Calculated Property
η	0.0000341	Pa×s	913.59	Joback Calculated Property

Similar Compounds

Find more compounds similar to Fumaric acid, 2-isopropoxyphenyl 3-chlorophenyl 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.