Chemical Properties of En-yn-dicycloether

InChI

InChI=1S/C13H12O2/c1-2-3-4-5-7-12-8-10-13(15-12)9-6-11-14-13/h7-8,10H,6,9,11H2,1H3

InChI Key

WTRXKCNFPMTAJV-UHFFFAOYSA-N

Formula

C13H12O2

SMILES

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

Molecular Weight¹

200.23

• 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°	454.78	kJ/mol	Joback Calculated Property
ΔfH°gas	265.46	kJ/mol	Joback Calculated Property
ΔfusH°	35.77	kJ/mol	Joback Calculated Property
ΔvapH°	58.44	kJ/mol	Joback Calculated Property
log10WS	-3.63		Crippen Calculated Property
logPoct/wat	1.990		Crippen Calculated Property
McVol	158.250	ml/mol	McGowan Calculated Property
Pc	3517.91	kPa	Joback Calculated Property
Inp	[1830.00; 1830.00]
Inp	1830.00		NIST
Inp	1830.00		NIST
Tboil	605.74	K	Joback Calculated Property
Tc	884.24	K	Joback Calculated Property
Tfus	566.19	K	Joback Calculated Property
Vc	0.588	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[384.13; 471.28]	J/mol×K	[605.74; 884.24]
Cp,gas	384.13	J/mol×K	605.74	Joback Calculated Property
Cp,gas	400.74	J/mol×K	652.16	Joback Calculated Property
Cp,gas	416.09	J/mol×K	698.57	Joback Calculated Property
Cp,gas	430.51	J/mol×K	744.99	Joback Calculated Property
Cp,gas	444.31	J/mol×K	791.41	Joback Calculated Property
Cp,gas	457.79	J/mol×K	837.83	Joback Calculated Property
Cp,gas	471.28	J/mol×K	884.24	Joback Calculated Property

Similar Compounds

Find more compounds similar to En-yn-dicycloether.

Sources

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

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