Chemical Properties of 2-((3-Methylbutan-2-yloxy)carbonyl)benzoic acid (CAS 198284-10-5)

InChI

InChI=1S/C13H16O4/c1-8(2)9(3)17-13(16)11-7-5-4-6-10(11)12(14)15/h4-9H,1-3H3,(H,14,15)

InChI Key

AJRMLQSJNSDUHW-UHFFFAOYSA-N

Formula

C13H16O4

SMILES

CC(C)C(C)OC(=O)c1ccccc1C(=O)O

Molecular Weight¹

236.26

CAS

198284-10-5

• 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°	-343.18	kJ/mol	Joback Calculated Property
ΔfH°gas	-606.76	kJ/mol	Joback Calculated Property
ΔfusH°	24.51	kJ/mol	Joback Calculated Property
ΔvapH°	79.28	kJ/mol	Joback Calculated Property
log10WS	-3.32		Crippen Calculated Property
logPoct/wat	2.586		Crippen Calculated Property
McVol	185.150	ml/mol	McGowan Calculated Property
Pc	2676.31	kPa	Joback Calculated Property
Inp	[1839.00; 1839.00]
Inp	1839.00		NIST
Inp	1839.00		NIST
Tboil	749.96	K	Joback Calculated Property
Tc	955.69	K	Joback Calculated Property
Tfus	428.12	K	Joback Calculated Property
Vc	0.693	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[516.17; 575.49]	J/mol×K	[749.96; 955.69]
Cp,gas	516.17	J/mol×K	749.96	Joback Calculated Property
Cp,gas	528.04	J/mol×K	784.25	Joback Calculated Property
Cp,gas	539.09	J/mol×K	818.54	Joback Calculated Property
Cp,gas	549.34	J/mol×K	852.83	Joback Calculated Property
Cp,gas	558.81	J/mol×K	887.11	Joback Calculated Property
Cp,gas	567.52	J/mol×K	921.40	Joback Calculated Property
Cp,gas	575.49	J/mol×K	955.69	Joback Calculated Property
η	[0.0000301; 0.0015402]	Pa×s	[428.12; 749.96]
η	0.0015402	Pa×s	428.12	Joback Calculated Property
η	0.0005548	Pa×s	481.76	Joback Calculated Property
η	0.0002452	Pa×s	535.40	Joback Calculated Property
η	0.0001257	Pa×s	589.04	Joback Calculated Property
η	0.0000721	Pa×s	642.68	Joback Calculated Property
η	0.0000450	Pa×s	696.32	Joback Calculated Property
η	0.0000301	Pa×s	749.96	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-((3-Methylbutan-2-yloxy)carbonyl)benzoic acid.

Sources

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

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