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

• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• 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	-898.25	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	48.98	kJ/mol	Joback Calculated Property
ΔvapH°	122.90	kJ/mol	Relay (1.0) Calculated Property
logPoct/wat	2.488		Crippen Calculated Property
McVol	205.110	ml/mol	McGowan 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	918.04	K	Relay (1.0) Calculated Property
Tfus	437.19	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l 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	[637.25; 711.72]	J/mol×K	[912.20; 1142.35]
Cp,gas	637.25	J/mol×K	912.20	Joback Calculated Property
Cp,gas	649.24	J/mol×K	950.56	Joback Calculated Property
Cp,gas	661.20	J/mol×K	988.92	Joback Calculated Property
Cp,gas	673.28	J/mol×K	1027.28	Joback Calculated Property
Cp,gas	685.63	J/mol×K	1065.64	Joback Calculated Property
Cp,gas	698.39	J/mol×K	1103.99	Joback Calculated Property
Cp,gas	711.72	J/mol×K	1142.35	Joback Calculated Property
η	[0.0000002; 0.0000022]	Pa×s	[720.45; 912.20]
η	0.0000022	Pa×s	720.45	Joback Calculated Property
η	0.0000014	Pa×s	752.41	Joback Calculated Property
η	0.0000009	Pa×s	784.37	Joback Calculated Property
η	0.0000006	Pa×s	816.33	Joback Calculated Property
η	0.0000004	Pa×s	848.28	Joback Calculated Property
η	0.0000003	Pa×s	880.24	Joback Calculated Property
η	0.0000002	Pa×s	912.20	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)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• 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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