Chemical Properties of 2-((3-Methylbutan-2-yloxy)carbonyl)benzoic acid

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

236.27

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-727.98	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	30.54	kJ/mol	Joback Calculated Property
ΔvapH°	94.56	kJ/mol	Relay (1.0) Calculated Property
IE	9.37	eV	Relay (1.0) Calculated Property
log10WS	-2.88		Relay (1.0) Calculated Property
logPoct/wat	2.586		Crippen Calculated Property
McVol	185.150	ml/mol	McGowan Calculated Property
Pc	2402.92	kPa	Joback Calculated Property
Inp	[1839.00; 1839.00]
Inp	1839.00		NIST
Inp	1839.00		NIST
Tboil	582.75	K	Relay (1.0) Calculated Property
Tc	817.33	K	Relay (1.0) Calculated Property
Tfus	365.34	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[515.29; 578.65]	J/mol×K	[731.55; 951.38]
Cp,gas	515.29	J/mol×K	731.55	Joback Calculated Property
Cp,gas	528.21	J/mol×K	768.19	Joback Calculated Property
Cp,gas	540.15	J/mol×K	804.83	Joback Calculated Property
Cp,gas	551.13	J/mol×K	841.47	Joback Calculated Property
Cp,gas	561.18	J/mol×K	878.11	Joback Calculated Property
Cp,gas	570.35	J/mol×K	914.74	Joback Calculated Property
Cp,gas	578.65	J/mol×K	951.38	Joback Calculated Property
η	[0.0000926; 0.0009984]	Pa×s	[448.14; 731.55]
η	0.0009984	Pa×s	448.14	Joback Calculated Property
η	0.0005560	Pa×s	495.38	Joback Calculated Property
η	0.0003429	Pa×s	542.61	Joback Calculated Property
η	0.0002285	Pa×s	589.85	Joback Calculated Property
η	0.0001617	Pa×s	637.08	Joback Calculated Property
η	0.0001200	Pa×s	684.31	Joback Calculated Property
η	0.0000926	Pa×s	731.55	Joback Calculated Property

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• 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.
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