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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[901.63; 994.91]	J/mol×K	[968.41; 1204.47]
Cp,gas	901.63	J/mol×K	968.41	Joback Calculated Property
Cp,gas	917.75	J/mol×K	1007.75	Joback Calculated Property
Cp,gas	933.42	J/mol×K	1047.10	Joback Calculated Property
Cp,gas	948.82	J/mol×K	1086.44	Joback Calculated Property
Cp,gas	964.09	J/mol×K	1125.78	Joback Calculated Property
Cp,gas	979.40	J/mol×K	1165.13	Joback Calculated Property
Cp,gas	994.91	J/mol×K	1204.47	Joback Calculated Property
η	[0.0000153; 0.0000931]	Pa×s	[703.39; 968.41]
η	0.0000931	Pa×s	703.39	Joback Calculated Property
η	0.0000631	Pa×s	747.56	Joback Calculated Property
η	0.0000446	Pa×s	791.73	Joback Calculated Property
η	0.0000328	Pa×s	835.90	Joback Calculated Property
η	0.0000248	Pa×s	880.07	Joback Calculated Property
η	0.0000193	Pa×s	924.24	Joback Calculated Property
η	0.0000153	Pa×s	968.41	Joback 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

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.
These property values are available through the Cheméo API. A free account gives you an access key.