Chemical Properties of Germacranolide callitris (CAS 57759-35-0)

InChI

InChI=1S/C15H22O2/c1-10-5-4-6-11(2)9-14-13(8-7-10)12(3)15(16)17-14/h6-7,12-14H,4-5,8-9H2,1-3H3/b10-7+,11-6+

InChI Key

QJRFOUJEGHRZIU-NXAIOARDSA-N

Formula

C15H22O2

SMILES

CC1=CCC2C(CC(C)=CCC1)OC(=O)C2C

Molecular Weight¹

234.33

CAS

57759-35-0

• 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°	-63.54	kJ/mol	Joback Calculated Property
ΔfH°gas	-447.87	kJ/mol	Joback Calculated Property
ΔfusH°	26.40	kJ/mol	Joback Calculated Property
ΔvapH°	60.37	kJ/mol	Joback Calculated Property
log10WS	-4.09		Crippen Calculated Property
logPoct/wat	3.631		Crippen Calculated Property
McVol	199.330	ml/mol	McGowan Calculated Property
Pc	2088.84	kPa	Joback Calculated Property
Inp	[1972.80; 1972.80]
Inp	1972.80		NIST
Inp	1972.80		NIST
Tboil	684.35	K	Joback Calculated Property
Tc	927.07	K	Joback Calculated Property
Tfus	387.16	K	Joback Calculated Property
Vc	0.733	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[586.87; 699.89]	J/mol×K	[684.35; 927.07]
Cp,gas	586.87	J/mol×K	684.35	Joback Calculated Property
Cp,gas	609.93	J/mol×K	724.80	Joback Calculated Property
Cp,gas	631.32	J/mol×K	765.26	Joback Calculated Property
Cp,gas	651.02	J/mol×K	805.71	Joback Calculated Property
Cp,gas	669.03	J/mol×K	846.17	Joback Calculated Property
Cp,gas	685.32	J/mol×K	886.62	Joback Calculated Property
Cp,gas	699.89	J/mol×K	927.07	Joback Calculated Property

Similar Compounds

Find more compounds similar to Germacranolide callitris.

Sources

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

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