Chemical Properties of exo-THC (CAS 27179-28-8)

InChI

InChI=1S/C21H30O2/c1-5-6-7-8-15-12-18(22)20-16-11-14(2)9-10-17(16)21(3,4)23-19(20)13-15/h12-13,16-17,22H,2,5-11H2,1,3-4H3

InChI Key

AOYYFUGUUIRBML-UHFFFAOYSA-N

Formula

C21H30O2

SMILES

C=C1CCC2C(C1)c1c(O)cc(CCCCC)cc1OC2(C)C

Molecular Weight¹

314.46

CAS

27179-28-8

• 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	0.7491		Relay (... Calculated Property
ΔfG°	115.53	kJ/mol	Joback Calculated Property
ΔfH°gas	-380.51	kJ/mol	Relay (... Calculated Property
ΔfusH°	42.85	kJ/mol	Joback Calculated Property
ΔvapH°	112.59	kJ/mol	Relay (... Calculated Property
IE	7.71	eV	Relay (... Calculated Property
log10WS	-5.63		Relay (... Calculated Property
logPoct/wat	5.736		Crippen Calculated Property
McVol	268.710	ml/mol	McGowan Calculated Property
Pc	1663.26	kPa	Joback Calculated Property
Inp	[2499.80; 2499.80]
Inp	2499.80		NIST
Inp	2499.80		NIST
Tboil	666.00	K	Relay (... Calculated Property
Tc	916.93	K	Relay (... Calculated Property
Tfus	377.71	K	Relay (... Calculated Property
Vc	0.957	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[877.83; 1004.37]	J/mol×K	[840.84; 1068.58]
Cp,gas	877.83	J/mol×K	840.84	Joback Calculated Property
Cp,gas	898.83	J/mol×K	878.80	Joback Calculated Property
Cp,gas	919.56	J/mol×K	916.75	Joback Calculated Property
Cp,gas	940.24	J/mol×K	954.71	Joback Calculated Property
Cp,gas	961.11	J/mol×K	992.67	Joback Calculated Property
Cp,gas	982.41	J/mol×K	1030.62	Joback Calculated Property
Cp,gas	1004.37	J/mol×K	1068.58	Joback Calculated Property

Similar Compounds

Find more compounds similar to exo-THC.

Sources

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

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