Chemical Properties of Calacorene oxide

InChI

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

InChI Key

RLWKXCFJGCFMEM-UHFFFAOYSA-N

Formula

C15H20O

SMILES

Cc1ccc2c(c1)C(C(C)C)CC1OC21C

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.
• 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	0.4546		Relay (1.0) Calculated Property
ΔfG°	200.41	kJ/mol	Joback Calculated Property
ΔfH°gas	-127.20	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	25.47	kJ/mol	Joback Calculated Property
ΔvapH°	74.90	kJ/mol	Relay (1.0) Calculated Property
IE	8.18	eV	Relay (1.0) Calculated Property
log10WS	-4.19		Relay (1.0) Calculated Property
logPoct/wat	3.752		Crippen Calculated Property
McVol	182.600	ml/mol	McGowan Calculated Property
Pc	2244.00	kPa	Joback Calculated Property
Inp	[1643.00; 1643.00]
Inp	1643.00		NIST
Inp	1643.00		NIST
Tboil	552.99	K	Relay (1.0) Calculated Property
Tc	791.70	K	Relay (1.0) Calculated Property
Tfus	315.26	K	Relay (1.0) Calculated Property
Vc	0.698	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[497.21; 595.12]	J/mol×K	[610.53; 835.78]
Cp,gas	497.21	J/mol×K	610.53	Joback Calculated Property
Cp,gas	515.78	J/mol×K	648.07	Joback Calculated Property
Cp,gas	533.17	J/mol×K	685.61	Joback Calculated Property
Cp,gas	549.61	J/mol×K	723.16	Joback Calculated Property
Cp,gas	565.27	J/mol×K	760.70	Joback Calculated Property
Cp,gas	580.38	J/mol×K	798.24	Joback Calculated Property
Cp,gas	595.12	J/mol×K	835.78	Joback Calculated Property

Similar Compounds

Find more compounds similar to Calacorene oxide.

Sources

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

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