Chemical Properties of Fumaric acid, 3,5-dimethylphenyl 2,2-dichloroethyl ester

InChI

InChI=1S/C14H14Cl2O4/c1-9-5-10(2)7-11(6-9)20-14(18)4-3-13(17)19-8-12(15)16/h3-7,12H,8H2,1-2H3/b4-3+

InChI Key

NPGWRYIYWRULSV-ONEGZZNKSA-N

Formula

C14H14Cl2O4

SMILES

Cc1cc(C)cc(OC(=O)C=CC(=O)OCC(Cl)Cl)c1

Molecular Weight¹

317.17

• 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	0.7581		Relay (1.0) Calculated Property
ΔfG°	-253.77	kJ/mol	Joback Calculated Property
ΔfH°gas	-670.97	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	35.93	kJ/mol	Joback Calculated Property
ΔvapH°	94.62	kJ/mol	Relay (1.0) Calculated Property
IE	9.12	eV	Relay (1.0) Calculated Property
log10WS	-5.12		Relay (1.0) Calculated Property
logPoct/wat	3.112		Crippen Calculated Property
McVol	219.420	ml/mol	McGowan Calculated Property
Pc	2098.42	kPa	Joback Calculated Property
Inp	[2198.00; 2198.00]
Inp	2198.00		NIST
Inp	2198.00		NIST
Tboil	608.67	K	Relay (1.0) Calculated Property
Tc	840.54	K	Relay (1.0) Calculated Property
Tfus	351.43	K	Relay (1.0) Calculated Property
Vc	0.760	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[563.75; 620.65]	J/mol×K	[787.52; 1011.27]
Cp,gas	563.75	J/mol×K	787.52	Joback Calculated Property
Cp,gas	575.48	J/mol×K	824.81	Joback Calculated Property
Cp,gas	586.29	J/mol×K	862.10	Joback Calculated Property
Cp,gas	596.19	J/mol×K	899.40	Joback Calculated Property
Cp,gas	605.20	J/mol×K	936.69	Joback Calculated Property
Cp,gas	613.35	J/mol×K	973.98	Joback Calculated Property
Cp,gas	620.65	J/mol×K	1011.27	Joback Calculated Property
η	[0.0000765; 0.0006394]	Pa×s	[483.08; 787.52]
η	0.0006394	Pa×s	483.08	Joback Calculated Property
η	0.0003794	Pa×s	533.82	Joback Calculated Property
η	0.0002464	Pa×s	584.56	Joback Calculated Property
η	0.0001715	Pa×s	635.30	Joback Calculated Property
η	0.0001259	Pa×s	686.04	Joback Calculated Property
η	0.0000965	Pa×s	736.78	Joback Calculated Property
η	0.0000765	Pa×s	787.52	Joback Calculated Property

Similar Compounds

Find more compounds similar to Fumaric acid, 3,5-dimethylphenyl 2,2-dichloroethyl ester.

Sources

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

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