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

InChI

InChI=1S/C30H56O4/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25-33-28(31)23-24-29(32)34-30(26(2)3)27(4)5/h23-24,26-27,30H,6-22,25H2,1-5H3/b24-23+

InChI Key

ZTNYPYISBUVAPR-WCWDXBQESA-N

Formula

C30H56O4

SMILES

CCCCCCCCCCCCCCCCCCCOC(=O)/C=C/C(=O)OC(C(C)C)C(C)C

Molecular Weight¹

480.77

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-1185.78	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	71.83	kJ/mol	Joback Calculated Property
ΔvapH°	138.41	kJ/mol	Relay (1.0) Calculated Property
log10WS	-9.16		Relay (1.0) Calculated Property
logPoct/wat	8.961		Crippen Calculated Property
McVol	444.140	ml/mol	McGowan Calculated Property
Pc	621.27	kPa	Joback Calculated Property
Inp	[3228.00; 3228.00]
Inp	3228.00		NIST
Inp	3228.00		NIST
Tboil	675.53	K	Relay (1.0) Calculated Property
Tc	856.17	K	Relay (1.0) Calculated Property
Tfus	305.87	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[659.62; 1554.31]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			7.20800e+00
Coefficient B			2.78200e+00
Coefficient C			-1.51240e-03
Coefficient D			2.77500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	659.62	J/mol×K	273.00	Calculated Property
Cp,gas	814.41	J/mol×K	353.78	Calculated Property
Cp,gas	953.31	J/mol×K	434.56	Calculated Property
Cp,gas	1077.20	J/mol×K	515.33	Calculated Property
Cp,gas	1186.94	J/mol×K	596.11	Calculated Property
Cp,gas	1283.43	J/mol×K	676.89	Calculated Property
Cp,gas	1367.53	J/mol×K	757.67	Calculated Property
Cp,gas	1440.12	J/mol×K	838.44	Calculated Property
Cp,gas	1502.09	J/mol×K	919.22	Calculated Property
Cp,gas	1554.31	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0006116; 0.0000105]	Pa×s	[462.44; 872.07]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.60586e+01
Coefficient B			4.00438e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			462.44
Temperature range, max.			872.07
η	0.0006116	Pa×s	462.44	Calculated Property
η	0.0002815	Pa×s	507.95	Calculated Property
η	0.0001472	Pa×s	553.47	Calculated Property
η	0.0000850	Pa×s	598.98	Calculated Property
η	0.0000530	Pa×s	644.50	Calculated Property
η	0.0000352	Pa×s	690.01	Calculated Property
η	0.0000246	Pa×s	735.53	Calculated Property
η	0.0000179	Pa×s	781.04	Calculated Property
η	0.0000135	Pa×s	826.56	Calculated Property
η	0.0000105	Pa×s	872.07	Calculated Property

Similar Compounds

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

Sources

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

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