Chemical Properties of Glabrol (CAS 59870-65-4)

InChI

InChI=1S/C25H28O4/c1-15(2)5-7-17-13-18(8-11-21(17)26)24-14-23(28)20-10-12-22(27)19(25(20)29-24)9-6-16(3)4/h5-6,8,10-13,24,26-27H,7,9,14H2,1-4H3

InChI Key

CUFAXDWQDQQKFF-UHFFFAOYSA-N

Formula

C25H28O4

SMILES

CC(C)=CCc1cc(C2CC(=O)c3ccc(O)c(CC=C(C)C)c3O2)ccc1O

Molecular Weight¹

392.49

CAS

59870-65-4

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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
ω	0.9450		Relay (1.0) Calculated Property
ΔfG°	29.59	kJ/mol	Joback Calculated Property
ΔfH°gas	-526.70	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	60.30	kJ/mol	Joback Calculated Property
ΔvapH°	153.58	kJ/mol	Relay (1.0) Calculated Property
IE	7.55	eV	Relay (1.0) Calculated Property
log10WS	-5.67		Relay (1.0) Calculated Property
logPoct/wat	5.822		Crippen Calculated Property
McVol	315.310	ml/mol	McGowan Calculated Property
Pc	1724.59	kPa	Joback Calculated Property
Inp	[3424.30; 3424.30]
Inp	3424.30		NIST
Inp	3424.30		NIST
Tboil	702.08	K	Relay (1.0) Calculated Property
Tc	1053.77	K	Relay (1.0) Calculated Property
Tfus	416.67	K	Relay (1.0) Calculated Property
Vc	1.099	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1102.35; 1252.12]	J/mol×K	[1114.80; 1378.38]
Cp,gas	1102.35	J/mol×K	1114.80	Joback Calculated Property
Cp,gas	1124.40	J/mol×K	1158.73	Joback Calculated Property
Cp,gas	1147.23	J/mol×K	1202.66	Joback Calculated Property
Cp,gas	1171.13	J/mol×K	1246.59	Joback Calculated Property
Cp,gas	1196.38	J/mol×K	1290.52	Joback Calculated Property
Cp,gas	1223.28	J/mol×K	1334.45	Joback Calculated Property
Cp,gas	1252.12	J/mol×K	1378.38	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glabrol.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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