Chemical Properties of 2-((4-Methylpentan-2-yloxy)carbonyl)benzoic acid

InChI

InChI=1S/C14H18O4/c1-9(2)8-10(3)18-14(17)12-7-5-4-6-11(12)13(15)16/h4-7,9-10H,8H2,1-3H3,(H,15,16)

InChI Key

WBCHJVGWGRPPOT-UHFFFAOYSA-N

Formula

C14H18O4

SMILES

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

Molecular Weight¹

250.29

• 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	-755.77	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	33.13	kJ/mol	Joback Calculated Property
ΔvapH°	98.59	kJ/mol	Relay (1.0) Calculated Property
IE	9.30	eV	Relay (1.0) Calculated Property
log10WS	-3.29		Relay (1.0) Calculated Property
logPoct/wat	2.976		Crippen Calculated Property
McVol	199.240	ml/mol	McGowan Calculated Property
Pc	2191.78	kPa	Joback Calculated Property
Inp	[1896.00; 1896.00]
Inp	1896.00		NIST
Inp	1896.00		NIST
Tboil	587.31	K	Relay (1.0) Calculated Property
Tc	823.42	K	Relay (1.0) Calculated Property
Tfus	344.43	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	[568.39; 633.73]	J/mol×K	[754.43; 971.14]
Cp,gas	568.39	J/mol×K	754.43	Joback Calculated Property
Cp,gas	581.69	J/mol×K	790.55	Joback Calculated Property
Cp,gas	593.98	J/mol×K	826.67	Joback Calculated Property
Cp,gas	605.29	J/mol×K	862.79	Joback Calculated Property
Cp,gas	615.66	J/mol×K	898.91	Joback Calculated Property
Cp,gas	625.13	J/mol×K	935.03	Joback Calculated Property
Cp,gas	633.73	J/mol×K	971.14	Joback Calculated Property
η	[0.0000812; 0.0009152]	Pa×s	[459.41; 754.43]
η	0.0009152	Pa×s	459.41	Joback Calculated Property
η	0.0005029	Pa×s	508.58	Joback Calculated Property
η	0.0003071	Pa×s	557.75	Joback Calculated Property
η	0.0002032	Pa×s	606.92	Joback Calculated Property
η	0.0001430	Pa×s	656.09	Joback Calculated Property
η	0.0001057	Pa×s	705.26	Joback Calculated Property
η	0.0000812	Pa×s	754.43	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-((4-Methylpentan-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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