Chemical Properties of 2-Hydroxyguia-1(10),11-dien-15-oic acid

InChI

InChI=1S/C15H22O3/c1-8(2)10-4-5-11(15(17)18)14-12(7-10)9(3)6-13(14)16/h9-10,12-13,16H,1,4-7H2,2-3H3,(H,17,18)

InChI Key

RKFHUZKKJPEXJC-UHFFFAOYSA-N

Formula

C15H22O3

SMILES

C=C(C)C1CCC(C(=O)O)=C2C(O)CC(C)C2C1

Molecular Weight¹

250.33

• ω : Acentric Factor.
• 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).
• 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	0.6979		Relay (1.0) Calculated Property
ΔfG°	-179.47	kJ/mol	Joback Calculated Property
ΔfH°gas	-566.93	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	32.25	kJ/mol	Joback Calculated Property
ΔvapH°	118.09	kJ/mol	Relay (1.0) Calculated Property
IE	8.57	eV	Relay (1.0) Calculated Property
log10WS	-2.66		Relay (1.0) Calculated Property
logPoct/wat	2.761		Crippen Calculated Property
McVol	205.200	ml/mol	McGowan Calculated Property
Pc	2347.36	kPa	Joback Calculated Property
Inp	[1932.00; 1934.00]
Inp	1934.00		NIST
Inp	1932.00		NIST
Inp	1934.00		NIST
Inp	1932.00		NIST
Tboil	618.97	K	Relay (1.0) Calculated Property
Tc	871.35	K	Relay (1.0) Calculated Property
Tfus	422.78	K	Relay (1.0) Calculated Property
Vc	0.687	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[663.38; 735.92]	J/mol×K	[807.73; 1009.03]
Cp,gas	663.38	J/mol×K	807.73	Joback Calculated Property
Cp,gas	677.68	J/mol×K	841.28	Joback Calculated Property
Cp,gas	691.05	J/mol×K	874.83	Joback Calculated Property
Cp,gas	703.52	J/mol×K	908.38	Joback Calculated Property
Cp,gas	715.13	J/mol×K	941.93	Joback Calculated Property
Cp,gas	725.91	J/mol×K	975.48	Joback Calculated Property
Cp,gas	735.92	J/mol×K	1009.03	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-Hydroxyguia-1(10),11-dien-15-oic acid.

Sources

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

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