Chemical Properties of (Z)-Tibetin spiroether (CAS 206062-16-0)

InChI

InChI=1S/C14H14O2/c1-2-3-4-5-6-8-13-9-11-14(16-13)10-7-12-15-14/h8-9,11H,2,7,10,12H2,1H3/b13-8-

InChI Key

SDEBTHGVRKGQTB-JYRVWZFOSA-N

Formula

C14H14O2

SMILES

CCC#CC#CC=C1C=CC2(CCCO2)O1

Molecular Weight¹

214.26

CAS

206062-16-0

• 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).
• 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
ΔfG°	463.20	kJ/mol	Joback Calculated Property
ΔfH°gas	244.82	kJ/mol	Joback Calculated Property
ΔfusH°	38.36	kJ/mol	Joback Calculated Property
ΔvapH°	60.66	kJ/mol	Joback Calculated Property
log10WS	-4.05		Crippen Calculated Property
logPoct/wat	2.380		Crippen Calculated Property
McVol	172.340	ml/mol	McGowan Calculated Property
Pc	3149.09	kPa	Joback Calculated Property
Inp	[1836.00; 1925.60]
Inp	1925.60		NIST
Inp	1836.00		NIST
Inp	1836.00		NIST
Inp	1925.60		NIST
Tboil	628.62	K	Joback Calculated Property
Tc	900.08	K	Joback Calculated Property
Tfus	577.46	K	Joback Calculated Property
Vc	0.643	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[432.76; 525.15]	J/mol×K	[628.62; 900.08]
Cp,gas	432.76	J/mol×K	628.62	Joback Calculated Property
Cp,gas	450.10	J/mol×K	673.86	Joback Calculated Property
Cp,gas	466.27	J/mol×K	719.11	Joback Calculated Property
Cp,gas	481.56	J/mol×K	764.35	Joback Calculated Property
Cp,gas	496.27	J/mol×K	809.60	Joback Calculated Property
Cp,gas	510.70	J/mol×K	854.84	Joback Calculated Property
Cp,gas	525.15	J/mol×K	900.08	Joback Calculated Property

Similar Compounds

Find more compounds similar to (Z)-Tibetin spiroether.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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