Chemical Properties of Dihydroedulan IIA (CAS 74006-62-5)

InChI

InChI=1S/C13H22O/c1-10-6-7-11-12(2,3)8-5-9-13(11,4)14-10/h5,9-11H,6-8H2,1-4H3

InChI Key

IVTQSEFLDHBCDZ-UHFFFAOYSA-N

Formula

C13H22O

SMILES

CC1CCC2C(C)(C)CC=CC2(C)O1

Molecular Weight¹

194.31

CAS

74006-62-5

Other Names

• Dihydroedulan II

• 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	0.3258		Relay (... Calculated Property
ΔfG°	49.12	kJ/mol	Joback Calculated Property
ΔfH°gas	-249.96	kJ/mol	Relay (... Calculated Property
ΔfusH°	16.04	kJ/mol	Joback Calculated Property
ΔvapH°	58.56	kJ/mol	Relay (... Calculated Property
IE	8.63	eV	Relay (... Calculated Property
log10WS	-3.18		Relay (... Calculated Property
logPoct/wat	3.546		Crippen Calculated Property
McVol	173.880	ml/mol	McGowan Calculated Property
Pc	2367.97	kPa	Joback Calculated Property
Inp	[1272.00; 1300.00]
Inp	1272.00		NIST
Inp	1284.00		NIST
Inp	1284.00		NIST
Inp	1284.00		NIST
Inp	1284.00		NIST
Inp	1300.00		NIST
Inp	1290.00		NIST
Inp	1285.00		NIST
Inp	1278.00		NIST
Inp	1272.00		NIST
Inp	1300.00		NIST
Tboil	501.78	K	Relay (... Calculated Property
Tc	711.61	K	Relay (... Calculated Property
Tfus	261.47	K	Relay (... Calculated Property
Vc	0.609	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[451.15; 568.71]	J/mol×K	[544.65; 774.56]
Cp,gas	451.15	J/mol×K	544.65	Joback Calculated Property
Cp,gas	473.87	J/mol×K	582.97	Joback Calculated Property
Cp,gas	494.99	J/mol×K	621.29	Joback Calculated Property
Cp,gas	514.78	J/mol×K	659.61	Joback Calculated Property
Cp,gas	533.50	J/mol×K	697.93	Joback Calculated Property
Cp,gas	551.39	J/mol×K	736.24	Joback Calculated Property
Cp,gas	568.71	J/mol×K	774.56	Joback Calculated Property

Similar Compounds

Find more compounds similar to Dihydroedulan IIA.

Sources

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

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