Chemical Properties of Fumaric acid, 2,4-dimethylpent-3-yl octyl ester

InChI

InChI=1S/C19H34O4/c1-6-7-8-9-10-11-14-22-17(20)12-13-18(21)23-19(15(2)3)16(4)5/h12-13,15-16,19H,6-11,14H2,1-5H3/b13-12+

InChI Key

JGOMLRLIGCQIDL-OUKQBFOZSA-N

Formula

C19H34O4

SMILES

CCCCCCCCOC(=O)C=CC(=O)OC(C(C)C)C(C)C

Molecular Weight¹

326.47

• 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	0.8834		Relay (... Calculated Property
ΔfG°	-285.84	kJ/mol	Joback Calculated Property
ΔfH°gas	-961.90	kJ/mol	Relay (... Calculated Property
ΔfusH°	40.17	kJ/mol	Joback Calculated Property
ΔvapH°	87.94	kJ/mol	Relay (... Calculated Property
IE	9.77	eV	Relay (... Calculated Property
log10WS	-5.54		Relay (... Calculated Property
logPoct/wat	4.670		Crippen Calculated Property
McVol	289.150	ml/mol	McGowan Calculated Property
Pc	1210.67	kPa	Joback Calculated Property
Inp	[2122.00; 2122.00]
Inp	2122.00		NIST
Inp	2122.00		NIST
Tboil	593.21	K	Relay (... Calculated Property
Tc	758.62	K	Relay (... Calculated Property
Tfus	264.32	K	Relay (... Calculated Property
Vc	1.045	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[885.58; 976.92]	J/mol×K	[789.54; 977.44]
Cp,gas	885.58	J/mol×K	789.54	Joback Calculated Property
Cp,gas	903.25	J/mol×K	820.86	Joback Calculated Property
Cp,gas	919.91	J/mol×K	852.17	Joback Calculated Property
Cp,gas	935.58	J/mol×K	883.49	Joback Calculated Property
Cp,gas	950.29	J/mol×K	914.81	Joback Calculated Property
Cp,gas	964.06	J/mol×K	946.12	Joback Calculated Property
Cp,gas	976.92	J/mol×K	977.44	Joback Calculated Property
η	[0.0000415; 0.0015838]	Pa×s	[398.13; 789.54]
η	0.0015838	Pa×s	398.13	Joback Calculated Property
η	0.0005628	Pa×s	463.37	Joback Calculated Property
η	0.0002582	Pa×s	528.60	Joback Calculated Property
η	0.0001406	Pa×s	593.84	Joback Calculated Property
η	0.0000863	Pa×s	659.07	Joback Calculated Property
η	0.0000579	Pa×s	724.31	Joback Calculated Property
η	0.0000415	Pa×s	789.54	Joback Calculated Property

Similar Compounds

Find more compounds similar to Fumaric acid, 2,4-dimethylpent-3-yl octyl ester.

Sources

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

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