Chemical Properties of (+)-Gymnomitr-3(15)-en-12-oic acid

InChI

InChI=1S/C15H22O2/c1-10-5-8-13(2)9-11(10)15(12(16)17)7-4-6-14(13,15)3/h11H,1,4-9H2,2-3H3,(H,16,17)/t11?,13-,14-,15+/m0/s1

InChI Key

VDQVZUARIGBYPI-KVPGNWIISA-N

Formula

C15H22O2

SMILES

C=C1CCC2(C)CC1C1(C(=O)O)CCCC21C

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°	-3.37	kJ/mol	Joback Calculated Property
ΔfH°gas	-302.04	kJ/mol	Joback Calculated Property
ΔfusH°	11.52	kJ/mol	Joback Calculated Property
ΔvapH°	68.89	kJ/mol	Joback Calculated Property
log10WS	-3.77		Crippen Calculated Property
logPoct/wat	3.624		Crippen Calculated Property
McVol	192.770	ml/mol	McGowan Calculated Property
Pc	2651.56	kPa	Joback Calculated Property
Inp	[1796.00; 1796.00]
Inp	1796.00		NIST
Inp	1796.00		NIST
Tboil	712.62	K	Joback Calculated Property
Tc	933.88	K	Joback Calculated Property
Tfus	497.48	K	Joback Calculated Property
Vc	0.733	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[588.87; 698.69]	J/mol×K	[712.62; 933.88]
Cp,gas	588.87	J/mol×K	712.62	Joback Calculated Property
Cp,gas	606.11	J/mol×K	749.50	Joback Calculated Property
Cp,gas	623.28	J/mol×K	786.37	Joback Calculated Property
Cp,gas	640.75	J/mol×K	823.25	Joback Calculated Property
Cp,gas	658.89	J/mol×K	860.13	Joback Calculated Property
Cp,gas	678.08	J/mol×K	897.00	Joback Calculated Property
Cp,gas	698.69	J/mol×K	933.88	Joback Calculated Property

Similar Compounds

Find more compounds similar to (+)-Gymnomitr-3(15)-en-12-oic acid.

Sources

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

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