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

InChI

InChI=1S/C15H22O2/c1-9(2)11-5-7-13(15(16)17)12-6-4-10(3)14(12)8-11/h10-11,14H,1,4-8H2,2-3H3,(H,16,17)

InChI Key

JNYAUBXATZXFIU-UHFFFAOYSA-N

Formula

C15H22O2

SMILES

C=C(C)C1CCC(C(=O)O)=C2CCC(C)C2C1

Molecular Weight¹

234.33

• 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°	-34.94	kJ/mol	Joback Calculated Property
ΔfH°gas	-366.64	kJ/mol	Joback Calculated Property
ΔfusH°	27.09	kJ/mol	Joback Calculated Property
ΔvapH°	73.64	kJ/mol	Joback Calculated Property
log10WS	-3.97		Crippen Calculated Property
logPoct/wat	3.790		Crippen Calculated Property
McVol	199.330	ml/mol	McGowan Calculated Property
Pc	2218.71	kPa	Joback Calculated Property
Inp	[1811.00; 1811.00]
Inp	1811.00		NIST
Inp	1811.00		NIST
Inp	1811.00		NIST
Inp	1811.00		NIST
Tboil	720.22	K	Joback Calculated Property
Tc	929.09	K	Joback Calculated Property
Tfus	397.20	K	Joback Calculated Property
Vc	0.750	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[598.62; 685.76]	J/mol×K	[720.22; 929.09]
Cp,gas	598.62	J/mol×K	720.22	Joback Calculated Property
Cp,gas	615.69	J/mol×K	755.03	Joback Calculated Property
Cp,gas	631.67	J/mol×K	789.84	Joback Calculated Property
Cp,gas	646.62	J/mol×K	824.65	Joback Calculated Property
Cp,gas	660.58	J/mol×K	859.47	Joback Calculated Property
Cp,gas	673.62	J/mol×K	894.28	Joback Calculated Property
Cp,gas	685.76	J/mol×K	929.09	Joback Calculated Property

Similar Compounds

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

Sources

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

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