Chemical Properties of Benzenepropanoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, methyl ester (CAS 6386-38-5)

InChI

InChI=1S/C18H28O3/c1-17(2,3)13-10-12(8-9-15(19)21-7)11-14(16(13)20)18(4,5)6/h10-11,20H,8-9H2,1-7H3

InChI Key

PXMJCECEFTYEKE-UHFFFAOYSA-N

Formula

C18H28O3

SMILES

COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1

Molecular Weight¹

292.41

CAS

6386-38-5

Other Names

• Methyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate
• Methylox

• 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).
• 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
ΔfG°	-189.03	kJ/mol	Joback Calculated Property
ΔfH°gas	-640.87	kJ/mol	Joback Calculated Property
ΔfusH°	29.38	kJ/mol	Joback Calculated Property
ΔvapH°	78.84	kJ/mol	Joback Calculated Property
log10WS	-4.15		Crippen Calculated Property
logPoct/wat	4.093		Crippen Calculated Property
McVol	254.030	ml/mol	McGowan Calculated Property
Pc	1718.88	kPa	Joback Calculated Property
Inp	[1943.30; 1943.30]
Inp	1943.30		NIST
Inp	1943.30		NIST
Tboil	798.33	K	Joback Calculated Property
Tc	1017.84	K	Joback Calculated Property
Tfus	532.80	K	Joback Calculated Property
Vc	0.903	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[774.27; 862.62]	J/mol×K	[798.33; 1017.84]
Cp,gas	774.27	J/mol×K	798.33	Joback Calculated Property
Cp,gas	790.89	J/mol×K	834.92	Joback Calculated Property
Cp,gas	806.61	J/mol×K	871.50	Joback Calculated Property
Cp,gas	821.52	J/mol×K	908.09	Joback Calculated Property
Cp,gas	835.75	J/mol×K	944.67	Joback Calculated Property
Cp,gas	849.42	J/mol×K	981.26	Joback Calculated Property
Cp,gas	862.62	J/mol×K	1017.84	Joback Calculated Property
η	[0.0000037; 0.0001008]	Pa×s	[532.80; 798.33]
η	0.0001008	Pa×s	532.80	Joback Calculated Property
η	0.0000470	Pa×s	577.05	Joback Calculated Property
η	0.0000244	Pa×s	621.31	Joback Calculated Property
η	0.0000139	Pa×s	665.57	Joback Calculated Property
η	0.0000084	Pa×s	709.82	Joback Calculated Property
η	0.0000054	Pa×s	754.08	Joback Calculated Property
η	0.0000037	Pa×s	798.33	Joback Calculated Property

Similar Compounds

Find more compounds similar to Benzenepropanoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, methyl ester.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.