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

InChI

InChI=1S/C16H24O2/c1-11-5-6-12-15(3,13(17)18-4)14(2)7-9-16(11,12)10-8-14/h7,9,11-12H,5-6,8,10H2,1-4H3

InChI Key

BGRIBZWMDPIJFU-UHFFFAOYSA-N

Formula

C16H24O2

SMILES

COC(=O)C1(C)C2CCC(C)C23C=CC1(C)CC3

Molecular Weight¹

248.36

• 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.
• I : 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°	6.04	kJ/mol	Joback Calculated Property
ΔfH°gas	-349.47	kJ/mol	Joback Calculated Property
ΔfusH°	14.66	kJ/mol	Joback Calculated Property
ΔvapH°	56.67	kJ/mol	Joback Calculated Property
log10WS	-3.71		Crippen Calculated Property
logPoct/wat	3.568		Crippen Calculated Property
McVol	206.860	ml/mol	McGowan Calculated Property
Pc	2137.41	kPa	Joback Calculated Property
Inp	[1662.00; 1662.00]
Inp	1662.00		NIST
Inp	1662.00		NIST
I	2060.00		NIST
Tboil	661.07	K	Joback Calculated Property
Tc	893.85	K	Joback Calculated Property
Tfus	453.00	K	Joback Calculated Property
Vc	0.788	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[610.03; 732.59]	J/mol×K	[661.07; 893.85]
Cp,gas	610.03	J/mol×K	661.07	Joback Calculated Property
Cp,gas	630.94	J/mol×K	699.87	Joback Calculated Property
Cp,gas	651.10	J/mol×K	738.66	Joback Calculated Property
Cp,gas	670.92	J/mol×K	777.46	Joback Calculated Property
Cp,gas	690.83	J/mol×K	816.26	Joback Calculated Property
Cp,gas	711.25	J/mol×K	855.05	Joback Calculated Property
Cp,gas	732.59	J/mol×K	893.85	Joback Calculated Property

Similar Compounds

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

Sources

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

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