Chemical Properties of Phthalic acid, 3,3-dimethylbut-2-yl hexyl ester

InChI

InChI=1S/C20H30O4/c1-6-7-8-11-14-23-18(21)16-12-9-10-13-17(16)19(22)24-15(2)20(3,4)5/h9-10,12-13,15H,6-8,11,14H2,1-5H3

InChI Key

WOCLUILMEVQFEP-UHFFFAOYSA-N

Formula

C20H30O4

SMILES

CCCCCCOC(=O)c1ccccc1C(=O)OC(C)C(C)(C)C

Molecular Weight¹

334.45

• 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	0.8824		Relay (1.0) Calculated Property
ΔfG°	-247.14	kJ/mol	Joback Calculated Property
ΔfH°gas	-847.19	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	35.84	kJ/mol	Joback Calculated Property
ΔvapH°	87.47	kJ/mol	Relay (1.0) Calculated Property
IE	9.20	eV	Relay (1.0) Calculated Property
log10WS	-5.64		Relay (1.0) Calculated Property
logPoct/wat	5.015		Crippen Calculated Property
McVol	283.780	ml/mol	McGowan Calculated Property
Pc	1368.70	kPa	Joback Calculated Property
Inp	[2216.00; 2216.00]
Inp	2216.00		NIST
Inp	2216.00		NIST
Tboil	620.81	K	Relay (1.0) Calculated Property
Tc	826.04	K	Relay (1.0) Calculated Property
Tfus	281.62	K	Relay (1.0) Calculated Property
Vc	1.042	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[879.27; 961.05]	J/mol×K	[837.57; 1044.90]
Cp,gas	879.27	J/mol×K	837.57	Joback Calculated Property
Cp,gas	895.72	J/mol×K	872.13	Joback Calculated Property
Cp,gas	910.98	J/mol×K	906.68	Joback Calculated Property
Cp,gas	925.11	J/mol×K	941.24	Joback Calculated Property
Cp,gas	938.13	J/mol×K	975.79	Joback Calculated Property
Cp,gas	950.10	J/mol×K	1010.35	Joback Calculated Property
Cp,gas	961.05	J/mol×K	1044.90	Joback Calculated Property
η	[0.0000398; 0.0006273]	Pa×s	[485.84; 837.57]
η	0.0006273	Pa×s	485.84	Joback Calculated Property
η	0.0003093	Pa×s	544.46	Joback Calculated Property
η	0.0001750	Pa×s	603.08	Joback Calculated Property
η	0.0001095	Pa×s	661.70	Joback Calculated Property
η	0.0000740	Pa×s	720.33	Joback Calculated Property
η	0.0000530	Pa×s	778.95	Joback Calculated Property
η	0.0000398	Pa×s	837.57	Joback Calculated Property

Similar Compounds

Find more compounds similar to Phthalic acid, 3,3-dimethylbut-2-yl hexyl ester.

Sources

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

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