Chemical Properties of 2-((3-Methylbut-3-enyloxy)carbonyl)benzoic acid (CAS 113793-37-6)

InChI

InChI=1S/C13H14O4/c1-9(2)7-8-17-13(16)11-6-4-3-5-10(11)12(14)15/h3-6H,1,7-8H2,2H3,(H,14,15)

InChI Key

ZCIHYROMGVHDDM-UHFFFAOYSA-N

Formula

C13H14O4

SMILES

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

Molecular Weight¹

234.25

CAS

113793-37-6

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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°	-259.01	kJ/mol	Joback Calculated Property
ΔfH°gas	-480.56	kJ/mol	Joback Calculated Property
ΔfusH°	28.96	kJ/mol	Joback Calculated Property
ΔvapH°	79.46	kJ/mol	Joback Calculated Property
log10WS	-3.30		Crippen Calculated Property
logPoct/wat	2.508		Crippen Calculated Property
McVol	180.850	ml/mol	McGowan Calculated Property
Pc	2764.26	kPa	Joback Calculated Property
Inp	[1902.00; 1902.00]
Inp	1902.00		NIST
Inp	1902.00		NIST
Tboil	747.40	K	Joback Calculated Property
Tc	952.52	K	Joback Calculated Property
Tfus	442.40	K	Joback Calculated Property
Vc	0.686	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[489.99; 545.44]	J/mol×K	[747.40; 952.52]
Cp,gas	489.99	J/mol×K	747.40	Joback Calculated Property
Cp,gas	501.02	J/mol×K	781.59	Joback Calculated Property
Cp,gas	511.31	J/mol×K	815.77	Joback Calculated Property
Cp,gas	520.87	J/mol×K	849.96	Joback Calculated Property
Cp,gas	529.73	J/mol×K	884.14	Joback Calculated Property
Cp,gas	537.91	J/mol×K	918.33	Joback Calculated Property
Cp,gas	545.44	J/mol×K	952.52	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-((3-Methylbut-3-enyloxy)carbonyl)benzoic acid.

Sources

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

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