Chemical Properties of 2-((3,5,5-Trimethylhexyloxy)carbonyl)benzoic acid

InChI

InChI=1S/C17H24O4/c1-12(11-17(2,3)4)9-10-21-16(20)14-8-6-5-7-13(14)15(18)19/h5-8,12H,9-11H2,1-4H3,(H,18,19)

InChI Key

RJFYLVAMNLWRKY-UHFFFAOYSA-N

Formula

C17H24O4

SMILES

CC(CCOC(=O)c1ccccc1C(=O)O)CC(C)(C)C

Molecular Weight¹

292.37

• 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).
• 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_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-813.29	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	37.01	kJ/mol	Joback Calculated Property
ΔvapH°	105.62	kJ/mol	Relay (1.0) Calculated Property
log10WS	-4.61		Relay (1.0) Calculated Property
logPoct/wat	4.004		Crippen Calculated Property
McVol	241.510	ml/mol	McGowan Calculated Property
Pc	1717.45	kPa	Joback Calculated Property
Inp	[2213.00; 2213.00]
Inp	2213.00		NIST
Inp	2213.00		NIST
Tboil	618.58	K	Relay (1.0) Calculated Property
Tfus	379.92	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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	[734.91; 805.11]	J/mol×K	[820.28; 1035.79]
Cp,gas	734.91	J/mol×K	820.28	Joback Calculated Property
Cp,gas	749.09	J/mol×K	856.20	Joback Calculated Property
Cp,gas	762.18	J/mol×K	892.12	Joback Calculated Property
Cp,gas	774.27	J/mol×K	928.03	Joback Calculated Property
Cp,gas	785.41	J/mol×K	963.95	Joback Calculated Property
Cp,gas	795.67	J/mol×K	999.87	Joback Calculated Property
Cp,gas	805.11	J/mol×K	1035.79	Joback Calculated Property
η	[0.0000467; 0.0005481]	Pa×s	[510.64; 820.28]
η	0.0005481	Pa×s	510.64	Joback Calculated Property
η	0.0003012	Pa×s	562.25	Joback Calculated Property
η	0.0001831	Pa×s	613.85	Joback Calculated Property
η	0.0001202	Pa×s	665.46	Joback Calculated Property
η	0.0000838	Pa×s	717.07	Joback Calculated Property
η	0.0000614	Pa×s	768.67	Joback Calculated Property
η	0.0000467	Pa×s	820.28	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-((3,5,5-Trimethylhexyloxy)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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