Chemical Properties of Phthalic acid, octyl 2-tert-butyl-6-methylphenyl ester

InChI

InChI=1S/C27H36O4/c1-6-7-8-9-10-13-19-30-25(28)21-16-11-12-17-22(21)26(29)31-24-20(2)15-14-18-23(24)27(3,4)5/h11-12,14-18H,6-10,13,19H2,1-5H3

InChI Key

CGGZLIMNNFRERI-UHFFFAOYSA-N

Formula

C27H36O4

SMILES

CCCCCCCCOC(=O)c1ccccc1C(=O)Oc1c(C)cccc1C(C)(C)C

Molecular Weight¹

424.57

• 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

Property	Value	Unit	Source
ω	1.0914		Relay (1.0) Calculated Property
ΔfG°	-92.61	kJ/mol	Joback Calculated Property
ΔfH°gas	-743.93	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	50.76	kJ/mol	Joback Calculated Property
ΔvapH°	114.65	kJ/mol	Relay (1.0) Calculated Property
IE	8.19	eV	Relay (1.0) Calculated Property
log10WS	-7.39		Relay (1.0) Calculated Property
logPoct/wat	7.029		Crippen Calculated Property
McVol	358.650	ml/mol	McGowan Calculated Property
Pc	1052.77	kPa	Joback Calculated Property
Inp	[2926.00; 2926.00]
Inp	2926.00		NIST
Inp	2926.00		NIST
Tboil	688.88	K	Relay (1.0) Calculated Property
Tc	946.36	K	Relay (1.0) Calculated Property
Tfus	302.25	K	Relay (1.0) Calculated Property
Vc	1.325	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1196.97; 1264.74]	J/mol×K	[1034.81; 1268.75]
Cp,gas	1196.97	J/mol×K	1034.81	Joback Calculated Property
Cp,gas	1211.61	J/mol×K	1073.80	Joback Calculated Property
Cp,gas	1224.80	J/mol×K	1112.79	Joback Calculated Property
Cp,gas	1236.63	J/mol×K	1151.78	Joback Calculated Property
Cp,gas	1247.17	J/mol×K	1190.77	Joback Calculated Property
Cp,gas	1256.51	J/mol×K	1229.76	Joback Calculated Property
Cp,gas	1264.74	J/mol×K	1268.75	Joback Calculated Property
η	[0.0000160; 0.0001620]	Pa×s	[631.19; 1034.81]
η	0.0001620	Pa×s	631.19	Joback Calculated Property
η	0.0000915	Pa×s	698.46	Joback Calculated Property
η	0.0000571	Pa×s	765.73	Joback Calculated Property
η	0.0000385	Pa×s	833.00	Joback Calculated Property
η	0.0000275	Pa×s	900.27	Joback Calculated Property
η	0.0000206	Pa×s	967.54	Joback Calculated Property
η	0.0000160	Pa×s	1034.81	Joback Calculated Property

Similar Compounds

Find more compounds similar to Phthalic acid, octyl 2-tert-butyl-6-methylphenyl ester.

Sources

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

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