Chemical Properties of Fumaric acid, 2,4-dichlorophenyl dodec-2-en-1-yl ester

InChI

InChI=1S/C22H28Cl2O4/c1-2-3-4-5-6-7-8-9-10-11-16-27-21(25)14-15-22(26)28-20-13-12-18(23)17-19(20)24/h10-15,17H,2-9,16H2,1H3/b11-10+,15-14+

InChI Key

UFMNQBOLHZPDDZ-RICRECKTSA-N

Formula

C22H28Cl2O4

SMILES

CCCCCCCCCC=CCOC(=O)C=CC(=O)Oc1ccc(Cl)cc1Cl

Molecular Weight¹

427.36

• 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	1.0061		Relay (... Calculated Property
ΔfG°	-103.75	kJ/mol	Joback Calculated Property
ΔfH°gas	-767.25	kJ/mol	Relay (... Calculated Property
ΔfusH°	60.37	kJ/mol	Joback Calculated Property
ΔvapH°	121.58	kJ/mol	Relay (... Calculated Property
IE	8.79	eV	Relay (... Calculated Property
log10WS	-7.58		Relay (... Calculated Property
logPoct/wat	6.695		Crippen Calculated Property
McVol	327.840	ml/mol	McGowan Calculated Property
Pc	1183.34	kPa	Joback Calculated Property
Inp	[2999.00; 2999.00]
Inp	2999.00		NIST
Inp	2999.00		NIST
Tboil	650.16	K	Relay (... Calculated Property
Tc	892.99	K	Relay (... Calculated Property
Tfus	307.98	K	Relay (... Calculated Property
Vc	1.153	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[990.88; 1058.44]	J/mol×K	[975.16; 1197.33]
Cp,gas	990.88	J/mol×K	975.16	Joback Calculated Property
Cp,gas	1004.51	J/mol×K	1012.19	Joback Calculated Property
Cp,gas	1017.10	J/mol×K	1049.22	Joback Calculated Property
Cp,gas	1028.73	J/mol×K	1086.25	Joback Calculated Property
Cp,gas	1039.45	J/mol×K	1123.27	Joback Calculated Property
Cp,gas	1049.33	J/mol×K	1160.30	Joback Calculated Property
Cp,gas	1058.44	J/mol×K	1197.33	Joback Calculated Property
η	[0.0000234; 0.0002347]	Pa×s	[583.16; 975.16]
η	0.0002347	Pa×s	583.16	Joback Calculated Property
η	0.0001317	Pa×s	648.49	Joback Calculated Property
η	0.0000821	Pa×s	713.83	Joback Calculated Property
η	0.0000555	Pa×s	779.16	Joback Calculated Property
η	0.0000398	Pa×s	844.49	Joback Calculated Property
η	0.0000299	Pa×s	909.83	Joback Calculated Property
η	0.0000234	Pa×s	975.16	Joback Calculated Property

Similar Compounds

Find more compounds similar to Fumaric acid, 2,4-dichlorophenyl dodec-2-en-1-yl ester.

Sources

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

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