Chemical Properties of Helifolen-12-oic acid (anti,anti,anti)

InChI

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

InChI Key

CFOAFRDJZWKHED-UHFFFAOYSA-N

Formula

C15H22O2

SMILES

CC1CCC2C13C=CC(C)(CC3)C2(C)C(=O)O

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°	-34.20	kJ/mol	Joback Calculated Property
ΔfH°gas	-348.84	kJ/mol	Joback Calculated Property
ΔfusH°	14.97	kJ/mol	Joback Calculated Property
ΔvapH°	68.71	kJ/mol	Joback Calculated Property
log10WS	-3.53		Crippen Calculated Property
logPoct/wat	3.480		Crippen Calculated Property
McVol	192.770	ml/mol	McGowan Calculated Property
Pc	2608.40	kPa	Joback Calculated Property
Inp	[1745.00; 1745.00]
Inp	1745.00		NIST
Inp	1745.00		NIST
Tboil	707.95	K	Joback Calculated Property
Tc	929.41	K	Joback Calculated Property
Tfus	480.32	K	Joback Calculated Property
Vc	0.734	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[592.53; 703.20]	J/mol×K	[707.95; 929.41]
Cp,gas	592.53	J/mol×K	707.95	Joback Calculated Property
Cp,gas	610.11	J/mol×K	744.86	Joback Calculated Property
Cp,gas	627.53	J/mol×K	781.77	Joback Calculated Property
Cp,gas	645.18	J/mol×K	818.68	Joback Calculated Property
Cp,gas	663.42	J/mol×K	855.59	Joback Calculated Property
Cp,gas	682.63	J/mol×K	892.50	Joback Calculated Property
Cp,gas	703.20	J/mol×K	929.41	Joback Calculated Property

Similar Compounds

Find more compounds similar to Helifolen-12-oic acid (anti,anti,anti).

Sources

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

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