Chemical Properties of 11-nor-D9-Tetrahydrocannabinol-9-carboxylic acid

InChI

InChI=1S/C20H26O4/c1-3-4-5-6-13-9-17(21)19-16-11-14(20(22)23)7-8-15(16)12(2)24-18(19)10-13/h9-12,15-16,21H,3-8H2,1-2H3,(H,22,23)

InChI Key

JUOBYKAWBVCAIM-UHFFFAOYSA-N

Formula

C20H26O4

SMILES

CCCCCc1cc(O)c2c(c1)OC(C)C1CCC(C(=O)O)=CC21

Molecular Weight¹

330.42

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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°	-185.89	kJ/mol	Joback Calculated Property
ΔfH°gas	-657.41	kJ/mol	Joback Calculated Property
ΔfusH°	54.24	kJ/mol	Joback Calculated Property
ΔvapH°	105.48	kJ/mol	Joback Calculated Property
log10WS	-5.09		Crippen Calculated Property
logPoct/wat	4.410		Crippen Calculated Property
McVol	262.060	ml/mol	McGowan Calculated Property
Pc	1985.89	kPa	Joback Calculated Property
Inp	[2762.00; 2762.00]
Inp	2762.00		NIST
Inp	2762.00		NIST
Tboil	968.75	K	Joback Calculated Property
Tc	1195.41	K	Joback Calculated Property
Tfus	653.54	K	Joback Calculated Property
Vc	0.943	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[898.81; 986.30]	J/mol×K	[968.75; 1195.41]
Cp,gas	898.81	J/mol×K	968.75	Joback Calculated Property
Cp,gas	914.13	J/mol×K	1006.53	Joback Calculated Property
Cp,gas	928.98	J/mol×K	1044.30	Joback Calculated Property
Cp,gas	943.49	J/mol×K	1082.08	Joback Calculated Property
Cp,gas	957.79	J/mol×K	1119.86	Joback Calculated Property
Cp,gas	972.01	J/mol×K	1157.63	Joback Calculated Property
Cp,gas	986.30	J/mol×K	1195.41	Joback Calculated Property
η	[0.0000031; 0.0000567]	Pa×s	[653.54; 968.75]
η	0.0000567	Pa×s	653.54	Joback Calculated Property
η	0.0000292	Pa×s	706.07	Joback Calculated Property
η	0.0000165	Pa×s	758.61	Joback Calculated Property
η	0.0000100	Pa×s	811.14	Joback Calculated Property
η	0.0000065	Pa×s	863.68	Joback Calculated Property
η	0.0000044	Pa×s	916.21	Joback Calculated Property
η	0.0000031	Pa×s	968.75	Joback Calculated Property

Similar Compounds

Find more compounds similar to 11-nor-D9-Tetrahydrocannabinol-9-carboxylic acid.

Sources

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

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