Chemical Properties of (-)-Cannabidiol (CAS 13956-29-1)

InChI

InChI=1S/C21H30O2/c1-5-6-7-8-16-12-19(22)21(20(23)13-16)18-11-15(4)9-10-17(18)14(2)3/h11-13,17-18,22-23H,2,5-10H2,1,3-4H3/t17-,18+/m0/s1

InChI Key

QHMBSVQNZZTUGM-ZWKOTPCHSA-N

Formula

C21H30O2

SMILES

C=C(C)C1CCC(C)=CC1c1c(O)cc(CCCCC)cc1O

Molecular Weight¹

314.46

CAS

13956-29-1

Other Names

• 1,3-Benzenediol, 2-[3-methyl-6-(1-methylethenyl)-2-cyclohexen-1-yl]-5-pentyl-, (1R-trans)-
• Cannabidiol

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_fusH : Enthalpy of fusion at a given temperature (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°	46.51	kJ/mol	Joback Calculated Property
logPoct/wat	5.847		Crippen Calculated Property
McVol	275.270	ml/mol	McGowan Calculated Property
Inp	[2375.00; 2375.00]
Inp	2375.00		NIST
Inp	2375.00		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

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[380.61; 954.62]	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			-9.39160e+01
Coefficient B			2.12966e+00
Coefficient C			-1.56652e-03
Coefficient D			4.85400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	380.61	J/mol×K	273.00	Calculated Property
Cp,gas	484.94	J/mol×K	353.78	Calculated Property
Cp,gas	575.55	J/mol×K	434.56	Calculated Property
Cp,gas	653.98	J/mol×K	515.33	Calculated Property
Cp,gas	721.76	J/mol×K	596.11	Calculated Property
Cp,gas	780.42	J/mol×K	676.89	Calculated Property
Cp,gas	831.50	J/mol×K	757.67	Calculated Property
Cp,gas	876.54	J/mol×K	838.44	Calculated Property
Cp,gas	917.07	J/mol×K	919.22	Calculated Property
Cp,gas	954.62	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to (-)-Cannabidiol.

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.