Chemical Properties of Edulan II (CAS 41678-30-2)

InChI

InChI=1S/C13H20O/c1-10-6-7-11-12(2,3)8-5-9-13(11,4)14-10/h5,7,9-10H,6,8H2,1-4H3/t10-,13-/m1/s1

InChI Key

HUXGOQHTDHIKSS-ZWNOBZJWSA-N

Formula

C13H20O

SMILES

CC1CC=C2C(C)(C)CC=CC2(C)O1

Molecular Weight¹

192.30

CAS

41678-30-2

Other Names

• 2H-1-Benzopyran, 3,5,6,8a-tetrahydro-2,5,5,8a-tetramethyl-, (2S-cis)-
• 2,5,5,8a-Tetramethyl-3,5,6,8a-tetrahydro-2H-chromene-, (2S-cis)-
• cis-Edulan

• 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	0.2965		Relay (... Calculated Property
ΔfG°	77.16	kJ/mol	Joback Calculated Property
ΔfH°gas	-179.24	kJ/mol	Relay (... Calculated Property
ΔfusH°	15.81	kJ/mol	Joback Calculated Property
ΔvapH°	58.95	kJ/mol	Relay (... Calculated Property
IE	8.55	eV	Relay (... Calculated Property
log10WS	-3.17		Relay (... Calculated Property
logPoct/wat	3.466		Crippen Calculated Property
McVol	169.580	ml/mol	McGowan Calculated Property
Pc	2497.50	kPa	Joback Calculated Property
Inp	[1247.00; 1328.00]
Inp	1328.00		NIST
Inp	1247.00		NIST
Tboil	481.54	K	Relay (... Calculated Property
Tc	697.69	K	Relay (... Calculated Property
Tfus	282.21	K	Relay (... Calculated Property
Vc	0.605	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[432.15; 539.04]	J/mol×K	[553.46; 786.87]
Cp,gas	432.15	J/mol×K	553.46	Joback Calculated Property
Cp,gas	452.71	J/mol×K	592.36	Joback Calculated Property
Cp,gas	471.81	J/mol×K	631.26	Joback Calculated Property
Cp,gas	489.73	J/mol×K	670.16	Joback Calculated Property
Cp,gas	506.72	J/mol×K	709.06	Joback Calculated Property
Cp,gas	523.07	J/mol×K	747.97	Joback Calculated Property
Cp,gas	539.04	J/mol×K	786.87	Joback Calculated Property

Similar Compounds

Find more compounds similar to Edulan II.

Sources

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

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