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

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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
ω	0.5574		Relay (1.0) Calculated Property
ΔfG°	-3.37	kJ/mol	Joback Calculated Property
ΔfH°gas	-419.52	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	11.52	kJ/mol	Joback Calculated Property
ΔvapH°	102.52	kJ/mol	Relay (1.0) Calculated Property
IE	9.05	eV	Relay (1.0) Calculated Property
log10WS	-3.15		Relay (1.0) 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	578.61	K	Relay (1.0) Calculated Property
Tc	851.46	K	Relay (1.0) Calculated Property
Tfus	471.85	K	Relay (1.0) Calculated Property
Vc	0.654	m3/kmol	Relay (1.0) 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

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.