Chemical Properties of (E)-Taylopyran

InChI

InChI=1S/C15H22O/c1-11-6-5-7-13(11)10-14-9-8-12(2)16-15(14,3)4/h6,8,10,14H,5,7,9H2,1-4H3/b13-10+/t14-/m1/s1

InChI Key

MYZKUEUGZJCSJL-JWAFFJSPSA-N

Formula

C15H22O

SMILES

CC1=CCC(C=C2CCC=C2C)C(C)(C)O1

Molecular Weight¹

218.33

Other Names

• 2,2,6-Trimethyl-3-[(E)(2-methylcyclopenta-2-en-1-ylidene)methyl]-3,4-dihydro-2H-pyran

• 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°	130.93	kJ/mol	Joback Calculated Property
ΔfH°gas	-186.24	kJ/mol	Joback Calculated Property
ΔfusH°	24.05	kJ/mol	Joback Calculated Property
ΔvapH°	55.72	kJ/mol	Joback Calculated Property
log10WS	-4.90		Crippen Calculated Property
logPoct/wat	4.372		Crippen Calculated Property
McVol	193.460	ml/mol	McGowan Calculated Property
Pc	2131.49	kPa	Joback Calculated Property
Inp	[1536.00; 1536.00]
Inp	1536.00		NIST
Inp	1536.00		NIST
Tboil	619.54	K	Joback Calculated Property
Tc	850.80	K	Joback Calculated Property
Tfus	364.48	K	Joback Calculated Property
Vc	0.724	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[516.88; 625.71]	J/mol×K	[619.54; 850.80]
Cp,gas	516.88	J/mol×K	619.54	Joback Calculated Property
Cp,gas	537.53	J/mol×K	658.08	Joback Calculated Property
Cp,gas	556.97	J/mol×K	696.63	Joback Calculated Property
Cp,gas	575.34	J/mol×K	735.17	Joback Calculated Property
Cp,gas	592.81	J/mol×K	773.72	Joback Calculated Property
Cp,gas	609.55	J/mol×K	812.26	Joback Calculated Property
Cp,gas	625.71	J/mol×K	850.80	Joback Calculated Property

Similar Compounds

Find more compounds similar to (E)-Taylopyran.

Sources

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

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