Chemical Properties of Fumaric acid, 2,4-dichlorophenyl 8-chlorooctyl ester

InChI

InChI=1S/C18H21Cl3O4/c19-11-5-3-1-2-4-6-12-24-17(22)9-10-18(23)25-16-8-7-14(20)13-15(16)21/h7-10,13H,1-6,11-12H2/b10-9+

InChI Key

MDGVUJHZYAIXEG-MDZDMXLPSA-N

Formula

C18H21Cl3O4

SMILES

O=C(C=CC(=O)Oc1ccc(Cl)cc1Cl)OCCCCCCCCCl

Molecular Weight¹

407.72

• 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	0.9942		Relay (... Calculated Property
ΔfG°	-229.58	kJ/mol	Joback Calculated Property
ΔfH°gas	-759.21	kJ/mol	Relay (... Calculated Property
ΔfusH°	54.01	kJ/mol	Joback Calculated Property
ΔvapH°	116.65	kJ/mol	Relay (... Calculated Property
IE	9.24	eV	Relay (... Calculated Property
log10WS	-6.85		Relay (... Calculated Property
logPoct/wat	5.578		Crippen Calculated Property
McVol	288.020	ml/mol	McGowan Calculated Property
Pc	1465.73	kPa	Joback Calculated Property
Inp	[2928.00; 2928.00]
Inp	2928.00		NIST
Inp	2928.00		NIST
Tboil	634.26	K	Relay (... Calculated Property
Tc	894.58	K	Relay (... Calculated Property
Tfus	325.85	K	Relay (... Calculated Property
Vc	1.017	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[807.30; 863.43]	J/mol×K	[916.91; 1135.61]
Cp,gas	807.30	J/mol×K	916.91	Joback Calculated Property
Cp,gas	819.05	J/mol×K	953.36	Joback Calculated Property
Cp,gas	829.80	J/mol×K	989.81	Joback Calculated Property
Cp,gas	839.57	J/mol×K	1026.26	Joback Calculated Property
Cp,gas	848.41	J/mol×K	1062.71	Joback Calculated Property
Cp,gas	856.35	J/mol×K	1099.16	Joback Calculated Property
Cp,gas	863.43	J/mol×K	1135.61	Joback Calculated Property
η	[0.0000410; 0.0003248]	Pa×s	[573.08; 916.91]
η	0.0003248	Pa×s	573.08	Joback Calculated Property
η	0.0001967	Pa×s	630.38	Joback Calculated Property
η	0.0001295	Pa×s	687.69	Joback Calculated Property
η	0.0000909	Pa×s	744.99	Joback Calculated Property
η	0.0000671	Pa×s	802.30	Joback Calculated Property
η	0.0000516	Pa×s	859.60	Joback Calculated Property
η	0.0000410	Pa×s	916.91	Joback Calculated Property

Similar Compounds

Find more compounds similar to Fumaric acid, 2,4-dichlorophenyl 8-chlorooctyl ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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