Chemical Properties of «alpha»-Corocalene epoxide

InChI

InChI=1S/C15H20O/c1-9(2)11-6-5-10(3)12-7-8-15(4)14(16-15)13(11)12/h5-6,9,14H,7-8H2,1-4H3

InChI Key

DFKNZQFKCBZNBE-UHFFFAOYSA-N

Formula

C15H20O

SMILES

Cc1ccc(C(C)C)c2c1CCC1(C)OC21

Molecular Weight¹

216.32

• 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.
• I : 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	0.4914		Relay (1.0) Calculated Property
ΔfG°	198.49	kJ/mol	Joback Calculated Property
ΔfH°gas	-136.00	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	24.01	kJ/mol	Joback Calculated Property
ΔvapH°	74.74	kJ/mol	Relay (1.0) Calculated Property
IE	8.15	eV	Relay (1.0) Calculated Property
log10WS	-4.23		Relay (1.0) Calculated Property
logPoct/wat	3.895		Crippen Calculated Property
McVol	182.600	ml/mol	McGowan Calculated Property
Pc	2282.77	kPa	Joback Calculated Property
Inp	[1684.00; 1684.00]
Inp	1684.00		NIST
Inp	1684.00		NIST
I	[2337.00; 2337.00]
I	2337.00		NIST
I	2337.00		NIST
Tboil	560.38	K	Relay (1.0) Calculated Property
Tc	795.67	K	Relay (1.0) Calculated Property
Tfus	331.98	K	Relay (1.0) Calculated Property
Vc	0.705	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[495.26; 590.00]	J/mol×K	[620.18; 846.36]
Cp,gas	495.26	J/mol×K	620.18	Joback Calculated Property
Cp,gas	513.05	J/mol×K	657.88	Joback Calculated Property
Cp,gas	529.77	J/mol×K	695.57	Joback Calculated Property
Cp,gas	545.61	J/mol×K	733.27	Joback Calculated Property
Cp,gas	560.80	J/mol×K	770.96	Joback Calculated Property
Cp,gas	575.53	J/mol×K	808.66	Joback Calculated Property
Cp,gas	590.00	J/mol×K	846.36	Joback Calculated Property

Similar Compounds

Find more compounds similar to «alpha»-Corocalene epoxide.

Sources

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

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