Chemical Properties of Resorcinol, 2-p-mentha-1,8-dien-3-yl-5-pentyl-, (-)-(E)- (CAS 521-37-9)

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+/m1/s1

InChI Key

QHMBSVQNZZTUGM-MSOLQXFVSA-N

Formula

C21H30O2

SMILES

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

Molecular Weight¹

314.46

CAS

521-37-9

Other Names

• 1,3-Benzenediol, 2-(3-methyl-6-(1-methylethenyl)-2-cyclohexen-1-yl)-5-pentyl-, (1R-trans)-
• Cannabidiol
• (-)-trans-Cannabidiol
• CBD
• (-)-trans-2-p-Mentha-1,8-dien-3-yl-5-pentylresorcinol
• 2-(6-Isopropenyl-3-methyl-2-cyclohexen-1-yl)-5-pentyl-1,3-benzenediol

• 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).
• 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°	35.84	kJ/mol	Joback Calculated Property
ΔfH°gas	-410.40	kJ/mol	Joback Calculated Property
ΔfusH°	46.51	kJ/mol	Joback Calculated Property
ΔvapH°	91.79	kJ/mol	Joback Calculated Property
log10WS	-6.10		Crippen Calculated Property
logPoct/wat	5.846		Crippen Calculated Property
McVol	275.270	ml/mol	McGowan Calculated Property
Pc	1765.41	kPa	Joback Calculated Property
Inp	[2365.00; 2441.30]
Inp	Outlier 2441.30		NIST
Inp	2392.00		NIST
Inp	2366.00		NIST
Inp	2365.00		NIST
Inp	2385.00		NIST
Inp	2383.00		NIST
Inp	2383.00		NIST
Tboil	888.36	K	Joback Calculated Property
Tc	1119.73	K	Joback Calculated Property
Tfus	589.51	K	Joback Calculated Property
Vc	0.935	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[902.02; 1008.09]	J/mol×K	[888.36; 1119.73]
Cp,gas	902.02	J/mol×K	888.36	Joback Calculated Property
Cp,gas	920.75	J/mol×K	926.92	Joback Calculated Property
Cp,gas	938.84	J/mol×K	965.48	Joback Calculated Property
Cp,gas	956.45	J/mol×K	1004.05	Joback Calculated Property
Cp,gas	973.76	J/mol×K	1042.61	Joback Calculated Property
Cp,gas	990.91	J/mol×K	1081.17	Joback Calculated Property
Cp,gas	1008.09	J/mol×K	1119.73	Joback Calculated Property

Similar Compounds

Find more compounds similar to Resorcinol, 2-p-mentha-1,8-dien-3-yl-5-pentyl-, (-)-(E)-.

Sources

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

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.