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

InChI

InChI=1S/C13H14O2/c1-2-3-4-5-7-12-8-10-13(15-12)9-6-11-14-13/h2-8,10-11H,9H2,1H3/b3-2+,5-4+,12-7-

InChI Key

MDHFLFFAHKTMIR-UAJIGUHOSA-N

Formula

C13H14O2

SMILES

CC=CC=CC=C1C=CC2(CC=CO2)O1

Molecular Weight¹

202.25

• 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	0.3139		Relay (1.0) Calculated Property
ΔfG°	239.58	kJ/mol	Joback Calculated Property
ΔfH°gas	-134.38	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	31.16	kJ/mol	Joback Calculated Property
ΔvapH°	70.21	kJ/mol	Relay (1.0) Calculated Property
IE	7.76	eV	Relay (1.0) Calculated Property
log10WS	-4.05		Relay (1.0) Calculated Property
logPoct/wat	3.219		Crippen Calculated Property
McVol	162.550	ml/mol	McGowan Calculated Property
Pc	2871.95	kPa	Joback Calculated Property
Inp	[1789.00; 1799.00]
Inp	1789.00		NIST
Inp	1799.00		NIST
Inp	1789.00		NIST
Tboil	495.82	K	Relay (1.0) Calculated Property
Tc	740.81	K	Relay (1.0) Calculated Property
Tfus	320.65	K	Relay (1.0) Calculated Property
Vc	0.557	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[402.85; 483.85]	J/mol×K	[595.22; 835.42]
Cp,gas	402.85	J/mol×K	595.22	Joback Calculated Property
Cp,gas	418.60	J/mol×K	635.25	Joback Calculated Property
Cp,gas	433.11	J/mol×K	675.29	Joback Calculated Property
Cp,gas	446.63	J/mol×K	715.32	Joback Calculated Property
Cp,gas	459.43	J/mol×K	755.36	Joback Calculated Property
Cp,gas	471.75	J/mol×K	795.39	Joback Calculated Property
Cp,gas	483.85	J/mol×K	835.42	Joback Calculated Property

Similar Compounds

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

Sources

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

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