Chemical Properties of 2,4-Dihydroxy-6-(2-oxoheptyl)benzoic acid (Olivetonic acid)

InChI

InChI=1S/C14H18O5/c1-2-3-4-5-10(15)6-9-7-11(16)8-12(17)13(9)14(18)19/h7-8,16-17H,2-6H2,1H3,(H,18,19)

InChI Key

DHTUEPZEWVIXGJ-UHFFFAOYSA-N

Formula

C14H18O5

SMILES

CCCCCC(=O)Cc1cc(O)cc(O)c1C(=O)O

Molecular Weight¹

266.29

• ω : Acentric Factor.
• 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).
• 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).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	1.0796		Relay (1.0) Calculated Property
ΔfG°	-534.12	kJ/mol	Joback Calculated Property
ΔfH°gas	-898.25	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	44.52	kJ/mol	Joback Calculated Property
ΔvapH°	123.15	kJ/mol	Relay (1.0) Calculated Property
IE	8.29	eV	Relay (1.0) Calculated Property
log10WS	-3.48		Relay (1.0) Calculated Property
logPoct/wat	2.488		Crippen Calculated Property
McVol	205.110	ml/mol	McGowan Calculated Property
Pc	3341.24	kPa	Joback Calculated Property
Inp	[2337.00; 2337.00]
Inp	2337.00		NIST
Inp	2337.00		NIST
Tboil	618.87	K	Relay (1.0) Calculated Property
Tc	915.41	K	Relay (1.0) Calculated Property
Tfus	435.46	K	Relay (1.0) Calculated Property
Vc	0.708	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[634.54; 703.81]	J/mol×K	[912.54; 1131.68]
Cp,gas	634.54	J/mol×K	912.54	Joback Calculated Property
Cp,gas	645.88	J/mol×K	949.06	Joback Calculated Property
Cp,gas	657.14	J/mol×K	985.59	Joback Calculated Property
Cp,gas	668.44	J/mol×K	1022.11	Joback Calculated Property
Cp,gas	679.90	J/mol×K	1058.63	Joback Calculated Property
Cp,gas	691.65	J/mol×K	1095.15	Joback Calculated Property
Cp,gas	703.81	J/mol×K	1131.68	Joback Calculated Property
η	[5.1794389e-08; 0.0000017]	Pa×s	[670.60; 912.54]
η	0.0000017	Pa×s	670.60	Joback Calculated Property
η	0.0000008	Pa×s	710.92	Joback Calculated Property
η	0.0000004	Pa×s	751.25	Joback Calculated Property
η	0.0000002	Pa×s	791.57	Joback Calculated Property
η	0.0000001	Pa×s	831.89	Joback Calculated Property
η	8.1089679e-08	Pa×s	872.22	Joback Calculated Property
η	5.1794389e-08	Pa×s	912.54	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2,4-Dihydroxy-6-(2-oxoheptyl)benzoic acid (Olivetonic acid).

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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