Chemical Properties of Phthalic acid, dodecyl pent-4-enyl ester

InChI

InChI=1S/C25H38O4/c1-3-5-7-8-9-10-11-12-13-17-21-29-25(27)23-19-15-14-18-22(23)24(26)28-20-16-6-4-2/h4,14-15,18-19H,2-3,5-13,16-17,20-21H2,1H3

InChI Key

MRIJNEVFFDABMU-UHFFFAOYSA-N

Formula

C25H38O4

SMILES

C=CCCCOC(=O)c1ccccc1C(=O)OCCCCCCCCCCCC

Molecular Weight¹

402.57

• 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

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[503.99; 1175.24]	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			8.38400e+00
Coefficient B			2.11082e+00
Coefficient C			-1.13406e-03
Coefficient D			1.90100e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	503.99	J/mol×K	273.00	Calculated Property
Cp,gas	621.63	J/mol×K	353.78	Calculated Property
Cp,gas	727.10	J/mol×K	434.56	Calculated Property
Cp,gas	821.01	J/mol×K	515.33	Calculated Property
Cp,gas	903.95	J/mol×K	596.11	Calculated Property
Cp,gas	976.53	J/mol×K	676.89	Calculated Property
Cp,gas	1039.35	J/mol×K	757.67	Calculated Property
Cp,gas	1093.01	J/mol×K	838.44	Calculated Property
Cp,gas	1138.10	J/mol×K	919.22	Calculated Property
Cp,gas	1175.24	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0005036; 0.0000399]	Pa×s	[493.35; 785.80]	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			-1.44061e+01
Coefficient B			3.36088e+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.			493.35
Temperature range, max.			785.80
η	0.0005036	Pa×s	493.35	Calculated Property
η	0.0003306	Pa×s	525.84	Calculated Property
η	0.0002279	Pa×s	558.34	Calculated Property
η	0.0001637	Pa×s	590.83	Calculated Property
η	0.0001217	Pa×s	623.33	Calculated Property
η	0.0000931	Pa×s	655.82	Calculated Property
η	0.0000731	Pa×s	688.32	Calculated Property
η	0.0000587	Pa×s	720.81	Calculated Property
η	0.0000480	Pa×s	753.31	Calculated Property
η	0.0000399	Pa×s	785.80	Calculated Property

Similar Compounds

Find more compounds similar to Phthalic acid, dodecyl pent-4-enyl ester.

Sources

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

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