Chemical Properties of Dihydrocrassifolone

InChI

InChI=1S/C15H22O2/c1-11(2)9-13(16)10-15(3)7-4-5-12-6-8-17-14(12)15/h6,8,11H,4-5,7,9-10H2,1-3H3

InChI Key

RHZIPSSDEQVWHI-UHFFFAOYSA-N

Formula

C15H22O2

SMILES

CC(C)CC(=O)CC1(C)CCCc2ccoc21

Molecular Weight¹

234.33

• ω : Acentric Factor.
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation 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	0.5579		Relay (1.0) Calculated Property
ΔfG°	-38.68	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-396.31	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	69.47	kJ/mol	Relay (1.0) Calculated Property
IE	8.32	eV	Relay (1.0) Calculated Property
log10WS	-3.93		Relay (1.0) Calculated Property
logPoct/wat	3.879		Crippen Calculated Property
McVol	199.330	ml/mol	McGowan Calculated Property
Pc	2082.75	kPa	Relay (1.0-beta) Calculated Property
Inp	[1597.00; 1597.00]
Inp	1597.00		NIST
Inp	1597.00		NIST
Tboil	563.02	K	Relay (1.0) Calculated Property
Tc	786.96	K	Relay (1.0) Calculated Property
Tfus	326.19	K	Relay (1.0) Calculated Property
Vc	0.728	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to Dihydrocrassifolone.

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
• McGowan Method
• NIST Webbook

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