Chemical Properties of Fumaric acid, 2-chloro-5-methylphenyl propyl ester

InChI

InChI=1S/C14H15ClO4/c1-3-8-18-13(16)6-7-14(17)19-12-9-10(2)4-5-11(12)15/h4-7,9H,3,8H2,1-2H3/b7-6+

InChI Key

QOJOFIGGVFJBIJ-VOTSOKGWSA-N

Formula

C14H15ClO4

SMILES

CCCOC(=O)C=CC(=O)Oc1cc(C)ccc1Cl

Molecular Weight¹

282.72

• 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).
• 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
ΔfG°	-239.40	kJ/mol	Joback Calculated Property
ΔfH°gas	-506.82	kJ/mol	Joback Calculated Property
ΔfusH°	35.25	kJ/mol	Joback Calculated Property
ΔvapH°	73.01	kJ/mol	Joback Calculated Property
log10WS	-3.76		Crippen Calculated Property
logPoct/wat	3.063		Crippen Calculated Property
McVol	207.180	ml/mol	McGowan Calculated Property
Pc	2155.30	kPa	Joback Calculated Property
Inp	[2030.00; 2030.00]
Inp	2030.00		NIST
Inp	2030.00		NIST
Tboil	750.53	K	Joback Calculated Property
Tc	967.73	K	Joback Calculated Property
Tfus	468.16	K	Joback Calculated Property
Vc	0.788	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[540.12; 602.94]	J/mol×K	[750.53; 967.73]
Cp,gas	540.12	J/mol×K	750.53	Joback Calculated Property
Cp,gas	552.75	J/mol×K	786.73	Joback Calculated Property
Cp,gas	564.50	J/mol×K	822.93	Joback Calculated Property
Cp,gas	575.37	J/mol×K	859.13	Joback Calculated Property
Cp,gas	585.39	J/mol×K	895.33	Joback Calculated Property
Cp,gas	594.58	J/mol×K	931.53	Joback Calculated Property
Cp,gas	602.94	J/mol×K	967.73	Joback Calculated Property
η	[0.0000935; 0.0006663]	Pa×s	[468.16; 750.53]
η	0.0006663	Pa×s	468.16	Joback Calculated Property
η	0.0004136	Pa×s	515.22	Joback Calculated Property
η	0.0002781	Pa×s	562.28	Joback Calculated Property
η	0.0001988	Pa×s	609.35	Joback Calculated Property
η	0.0001491	Pa×s	656.41	Joback Calculated Property
η	0.0001163	Pa×s	703.47	Joback Calculated Property
η	0.0000935	Pa×s	750.53	Joback Calculated Property

Similar Compounds

Find more compounds similar to Fumaric acid, 2-chloro-5-methylphenyl propyl ester.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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