Chemical Properties of Guaia-1(10),11-dien-15,2-olide

InChI

InChI=1S/C15H20O2/c1-8-4-5-11-6-13-10(3)14(7-12(8)13)17-15(16)9(11)2/h9,11-12,14H,1,4-7H2,2-3H3

InChI Key

WNLWOLXUWFZXOF-UHFFFAOYSA-N

Formula

C15H20O2

SMILES

C=C1CCC2CC3=C(C)C(CC13)OC(=O)C2C

Molecular Weight¹

232.32

• 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°	56.63	kJ/mol	Joback Calculated Property
ΔfH°gas	-330.13	kJ/mol	Joback Calculated Property
ΔfusH°	28.46	kJ/mol	Joback Calculated Property
ΔvapH°	59.63	kJ/mol	Joback Calculated Property
log10WS	-3.74		Crippen Calculated Property
logPoct/wat	3.241		Crippen Calculated Property
McVol	188.470	ml/mol	McGowan Calculated Property
Pc	2163.33	kPa	Joback Calculated Property
Inp	[2019.00; 2019.00]
Inp	2019.00		NIST
Inp	2019.00		NIST
Tboil	678.28	K	Joback Calculated Property
Tc	913.85	K	Joback Calculated Property
Tfus	428.58	K	Joback Calculated Property
Vc	0.712	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[562.96; 668.18]	J/mol×K	[678.28; 913.85]
Cp,gas	562.96	J/mol×K	678.28	Joback Calculated Property
Cp,gas	583.85	J/mol×K	717.54	Joback Calculated Property
Cp,gas	603.34	J/mol×K	756.80	Joback Calculated Property
Cp,gas	621.47	J/mol×K	796.06	Joback Calculated Property
Cp,gas	638.29	J/mol×K	835.33	Joback Calculated Property
Cp,gas	653.85	J/mol×K	874.59	Joback Calculated Property
Cp,gas	668.18	J/mol×K	913.85	Joback Calculated Property

Similar Compounds

Find more compounds similar to Guaia-1(10),11-dien-15,2-olide.

Sources

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

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