Chemical Properties of 7-(2,4-Hexadiynylidene)-1,6-dioxaspiro[4,4]nona-2,8-diene

InChI

InChI=1S/C13H16O2/c1-2-3-4-5-7-12-8-10-13(15-12)9-6-11-14-13/h2-7,9H,8,10-11H2,1H3/b3-2+,5-4+,12-7+

InChI Key

IVYFIRNEAXGGAK-ZHMYCGPMSA-N

Formula

C13H16O2

SMILES

CC=CC=CC=C1CCC2(C=CCO2)O1

Molecular Weight¹

204.26

• 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°	209.62	kJ/mol	Joback Calculated Property
ΔfH°gas	-44.70	kJ/mol	Joback Calculated Property
ΔfusH°	29.93	kJ/mol	Joback Calculated Property
ΔvapH°	54.05	kJ/mol	Joback Calculated Property
log10WS	-3.74		Crippen Calculated Property
logPoct/wat	3.096		Crippen Calculated Property
McVol	166.850	ml/mol	McGowan Calculated Property
Pc	2764.26	kPa	Joback Calculated Property
Inp	[1802.00; 1802.00]
Inp	1802.00		NIST
Inp	1802.00		NIST
Tboil	596.06	K	Joback Calculated Property
Tc	833.90	K	Joback Calculated Property
Tfus	343.83	K	Joback Calculated Property
Vc	0.624	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[423.38; 511.02]	J/mol×K	[596.06; 833.90]
Cp,gas	423.38	J/mol×K	596.06	Joback Calculated Property
Cp,gas	440.37	J/mol×K	635.70	Joback Calculated Property
Cp,gas	456.07	J/mol×K	675.34	Joback Calculated Property
Cp,gas	470.74	J/mol×K	714.98	Joback Calculated Property
Cp,gas	484.63	J/mol×K	754.62	Joback Calculated Property
Cp,gas	497.97	J/mol×K	794.26	Joback Calculated Property
Cp,gas	511.02	J/mol×K	833.90	Joback Calculated Property

Similar Compounds

Find more compounds similar to 7-(2,4-Hexadiynylidene)-1,6-dioxaspiro[4,4]nona-2,8-diene.

Sources

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

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