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_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	58.70	kJ/mol	Joback Calculated Property
logPoct/wat	4.410		Crippen Calculated Property
McVol	262.060	ml/mol	McGowan Calculated Property
Inp	[2762.00; 2762.00]
Inp	2762.00		NIST
Inp	2762.00		NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[367.14; 914.61]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-9.03060e+01
Coefficient B			2.04894e+00
Coefficient C			-1.48882e-03
Coefficient D			4.44800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	367.14	J/mol×K	273.00	Calculated Property
Cp,gas	467.92	J/mol×K	353.78	Calculated Property
Cp,gas	555.43	J/mol×K	434.56	Calculated Property
Cp,gas	631.07	J/mol×K	515.33	Calculated Property
Cp,gas	696.26	J/mol×K	596.11	Calculated Property
Cp,gas	752.40	J/mol×K	676.89	Calculated Property
Cp,gas	800.90	J/mol×K	757.67	Calculated Property
Cp,gas	843.16	J/mol×K	838.44	Calculated Property
Cp,gas	880.60	J/mol×K	919.22	Calculated Property
Cp,gas	914.61	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0000931; 0.0000312]	Pa×s	[703.39; 843.13]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.58696e+01
Coefficient B			4.63348e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			703.39
Temperature range, max.			843.13
η	0.0000931	Pa×s	703.39	Calculated Property
η	0.0000807	Pa×s	718.92	Calculated Property
η	0.0000704	Pa×s	734.44	Calculated Property
η	0.0000618	Pa×s	749.97	Calculated Property
η	0.0000545	Pa×s	765.50	Calculated Property
η	0.0000484	Pa×s	781.02	Calculated Property
η	0.0000431	Pa×s	796.55	Calculated Property
η	0.0000385	Pa×s	812.07	Calculated Property
η	0.0000346	Pa×s	827.60	Calculated Property
η	0.0000312	Pa×s	843.13	Calculated Property

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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