Chemical Properties of Fumaric acid, 1-phenylprop-1-yl hept-2-yl ester

InChI

InChI=1S/C20H28O4/c1-4-6-8-11-16(3)23-19(21)14-15-20(22)24-18(5-2)17-12-9-7-10-13-17/h7,9-10,12-16,18H,4-6,8,11H2,1-3H3/b15-14+

InChI Key

GOARFDBVBNKNEN-CCEZHUSRSA-N

Formula

C20H28O4

SMILES

CCCCCC(C)OC(=O)C=CC(=O)OC(CC)c1ccccc1

Molecular Weight¹

332.43

• 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°	-162.57	kJ/mol	Joback Calculated Property
ΔfH°gas	-602.54	kJ/mol	Joback Calculated Property
ΔfusH°	40.33	kJ/mol	Joback Calculated Property
ΔvapH°	79.88	kJ/mol	Joback Calculated Property
log10WS	-5.45		Crippen Calculated Property
logPoct/wat	4.749		Crippen Calculated Property
McVol	279.480	ml/mol	McGowan Calculated Property
Pc	1427.22	kPa	Joback Calculated Property
Inp	[2275.00; 2275.00]
Inp	2275.00		NIST
Inp	2275.00		NIST
Tboil	839.54	K	Joback Calculated Property
Tc	1046.97	K	Joback Calculated Property
Tfus	450.82	K	Joback Calculated Property
Vc	1.063	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[853.05; 933.00]	J/mol×K	[839.54; 1046.97]
Cp,gas	853.05	J/mol×K	839.54	Joback Calculated Property
Cp,gas	869.09	J/mol×K	874.11	Joback Calculated Property
Cp,gas	883.99	J/mol×K	908.68	Joback Calculated Property
Cp,gas	897.78	J/mol×K	943.26	Joback Calculated Property
Cp,gas	910.52	J/mol×K	977.83	Joback Calculated Property
Cp,gas	922.25	J/mol×K	1012.40	Joback Calculated Property
Cp,gas	933.00	J/mol×K	1046.97	Joback Calculated Property
η	[0.0000396; 0.0008773]	Pa×s	[450.82; 839.54]
η	0.0008773	Pa×s	450.82	Joback Calculated Property
η	0.0003786	Pa×s	515.61	Joback Calculated Property
η	0.0001971	Pa×s	580.39	Joback Calculated Property
η	0.0001170	Pa×s	645.18	Joback Calculated Property
η	0.0000764	Pa×s	709.97	Joback Calculated Property
η	0.0000535	Pa×s	774.75	Joback Calculated Property
η	0.0000396	Pa×s	839.54	Joback Calculated Property

Similar Compounds

Find more compounds similar to Fumaric acid, 1-phenylprop-1-yl hept-2-yl ester.

Sources

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

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