Chemical Properties of 10-Hydroxycalamene-8,9-epoxide

InChI

InChI=1S/C14H18O2/c1-8(2)11-9-6-4-5-7-10(9)14(3,15)13-12(11)16-13/h4-8,11-13,15H,1-3H3/t11-,12?,13?,14?/m1/s1

InChI Key

CUFCAEHEWJLPNC-NTXGFPLRSA-N

Formula

C14H18O2

SMILES

CC(C)C1c2ccccc2C(C)(O)C2OC12

Molecular Weight¹

218.29

• 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	0.5848		Relay (... Calculated Property
ΔfG°	57.09	kJ/mol	Joback Calculated Property
ΔfH°gas	-230.17	kJ/mol	Relay (... Calculated Property
ΔfusH°	28.43	kJ/mol	Joback Calculated Property
ΔvapH°	90.69	kJ/mol	Relay (... Calculated Property
IE	8.66	eV	Relay (... Calculated Property
log10WS	-2.82		Relay (... Calculated Property
logPoct/wat	2.415		Crippen Calculated Property
McVol	174.380	ml/mol	McGowan Calculated Property
Pc	2654.29	kPa	Joback Calculated Property
Inp	[1763.00; 1763.00]
Inp	1763.00		NIST
Inp	1763.00		NIST
I	[2628.00; 2628.00]
I	2628.00		NIST
I	2628.00		NIST
Tboil	570.30	K	Relay (... Calculated Property
Tc	828.43	K	Relay (... Calculated Property
Tfus	373.84	K	Relay (... Calculated Property
Vc	0.665	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[509.14; 591.90]	J/mol×K	[670.18; 881.46]
Cp,gas	509.14	J/mol×K	670.18	Joback Calculated Property
Cp,gas	524.27	J/mol×K	705.39	Joback Calculated Property
Cp,gas	538.64	J/mol×K	740.61	Joback Calculated Property
Cp,gas	552.43	J/mol×K	775.82	Joback Calculated Property
Cp,gas	565.79	J/mol×K	811.03	Joback Calculated Property
Cp,gas	578.89	J/mol×K	846.25	Joback Calculated Property
Cp,gas	591.90	J/mol×K	881.46	Joback Calculated Property

Similar Compounds

Find more compounds similar to 10-Hydroxycalamene-8,9-epoxide.

Sources

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

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