Chemical Properties of DehydroJinkho-eremol

InChI

InChI=1S/C15H24O/c1-11-6-5-7-12-8-9-13(14(2,3)16)10-15(11,12)4/h5,7-9,11-13,16H,6,10H2,1-4H3/t11-,12?,13+,15+/m1/s1

InChI Key

RBXTWLKVKMWZLA-YKURLNKLSA-N

Formula

C15H24O

SMILES

CC1CC=CC2C=CC(C(C)(C)O)CC21C

Molecular Weight¹

220.35

• 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	0.4985		Relay (1.0) Calculated Property
ΔfG°	53.55	kJ/mol	Joback Calculated Property
ΔfH°gas	-248.98	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	17.44	kJ/mol	Joback Calculated Property
ΔvapH°	87.40	kJ/mol	Relay (1.0) Calculated Property
IE	8.43	eV	Relay (1.0) Calculated Property
log10WS	-3.57		Relay (1.0) Calculated Property
logPoct/wat	3.552		Crippen Calculated Property
McVol	197.760	ml/mol	McGowan Calculated Property
Pc	2191.78	kPa	Joback Calculated Property
Inp	[1673.00; 1674.00]
Inp	1674.00		NIST
Inp	1673.00		NIST
Tboil	544.76	K	Relay (1.0) Calculated Property
Tc	762.28	K	Relay (1.0) Calculated Property
Tfus	376.13	K	Relay (1.0) Calculated Property
Vc	0.679	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[577.13; 680.98]	J/mol×K	[651.33; 864.46]
Cp,gas	577.13	J/mol×K	651.33	Joback Calculated Property
Cp,gas	596.79	J/mol×K	686.85	Joback Calculated Property
Cp,gas	615.30	J/mol×K	722.37	Joback Calculated Property
Cp,gas	632.82	J/mol×K	757.89	Joback Calculated Property
Cp,gas	649.50	J/mol×K	793.42	Joback Calculated Property
Cp,gas	665.50	J/mol×K	828.94	Joback Calculated Property
Cp,gas	680.98	J/mol×K	864.46	Joback Calculated Property

Similar Compounds

Find more compounds similar to DehydroJinkho-eremol.

Sources

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

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