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

InChI

InChI=1S/C23H42O4/c1-6-7-8-9-10-11-12-13-14-15-18-26-21(24)16-17-22(25)27-23(19(2)3)20(4)5/h16-17,19-20,23H,6-15,18H2,1-5H3/b17-16+

InChI Key

NFBDXHSNOZVHAM-WUKNDPDISA-N

Formula

C23H42O4

SMILES

CCCCCCCCCCCCOC(=O)C=CC(=O)OC(C(C)C)C(C)C

Molecular Weight¹

382.58

• 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	1.0278		Relay (... Calculated Property
ΔfG°	-252.16	kJ/mol	Joback Calculated Property
ΔfH°gas	-1041.56	kJ/mol	Relay (... Calculated Property
ΔfusH°	50.53	kJ/mol	Joback Calculated Property
ΔvapH°	104.27	kJ/mol	Relay (... Calculated Property
IE	9.85	eV	Relay (... Calculated Property
log10WS	-6.78		Relay (... Calculated Property
logPoct/wat	6.231		Crippen Calculated Property
McVol	345.510	ml/mol	McGowan Calculated Property
Pc	942.10	kPa	Joback Calculated Property
Inp	[2524.00; 2524.00]
Inp	2524.00		NIST
Inp	2524.00		NIST
Tboil	622.68	K	Relay (... Calculated Property
Tc	795.72	K	Relay (... Calculated Property
Tfus	279.72	K	Relay (... Calculated Property
Vc	1.266	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1129.21; 1225.53]	J/mol×K	[881.06; 1079.17]
Cp,gas	1129.21	J/mol×K	881.06	Joback Calculated Property
Cp,gas	1148.21	J/mol×K	914.08	Joback Calculated Property
Cp,gas	1165.99	J/mol×K	947.10	Joback Calculated Property
Cp,gas	1182.57	J/mol×K	980.11	Joback Calculated Property
Cp,gas	1197.99	J/mol×K	1013.13	Joback Calculated Property
Cp,gas	1212.30	J/mol×K	1046.15	Joback Calculated Property
Cp,gas	1225.53	J/mol×K	1079.17	Joback Calculated Property
η	[0.0000229; 0.0009275]	Pa×s	[443.21; 881.06]
η	0.0009275	Pa×s	443.21	Joback Calculated Property
η	0.0003235	Pa×s	516.19	Joback Calculated Property
η	0.0001465	Pa×s	589.16	Joback Calculated Property
η	0.0000790	Pa×s	662.13	Joback Calculated Property
η	0.0000481	Pa×s	735.11	Joback Calculated Property
η	0.0000321	Pa×s	808.08	Joback Calculated Property
η	0.0000229	Pa×s	881.06	Joback Calculated Property

Similar Compounds

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

Sources

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

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