Chemical Properties of Spiro-ether

InChI

InChI=1S/C13H14O2/c1-2-3-4-5-7-12-8-10-13(15-12)9-6-11-14-13/h8,10,12H,6-7,9,11H2,1H3

InChI Key

NJLYCNZOTQCQMC-UHFFFAOYSA-N

Formula

C13H14O2

SMILES

CC#CC#CCC1C=CC2(CCCO2)O1

Molecular Weight¹

202.25

• 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°	401.61	kJ/mol	Joback Calculated Property
ΔfH°gas	169.09	kJ/mol	Joback Calculated Property
ΔfusH°	36.52	kJ/mol	Joback Calculated Property
ΔvapH°	57.34	kJ/mol	Joback Calculated Property
log10WS	-3.39		Crippen Calculated Property
logPoct/wat	1.865		Crippen Calculated Property
McVol	162.550	ml/mol	McGowan Calculated Property
Pc	3272.78	kPa	Joback Calculated Property
Inp	[1804.00; 1805.00]
Inp	1804.00		NIST
Inp	1805.00		NIST
Inp	1805.00		NIST
Inp	1804.00		NIST
Tboil	594.43	K	Joback Calculated Property
Tc	864.18	K	Joback Calculated Property
Tfus	551.59	K	Joback Calculated Property
Vc	0.604	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[407.35; 503.41]	J/mol×K	[594.43; 864.18]
Cp,gas	407.35	J/mol×K	594.43	Joback Calculated Property
Cp,gas	425.92	J/mol×K	639.39	Joback Calculated Property
Cp,gas	443.11	J/mol×K	684.35	Joback Calculated Property
Cp,gas	459.18	J/mol×K	729.31	Joback Calculated Property
Cp,gas	474.41	J/mol×K	774.26	Joback Calculated Property
Cp,gas	489.07	J/mol×K	819.22	Joback Calculated Property
Cp,gas	503.41	J/mol×K	864.18	Joback Calculated Property

Similar Compounds

Find more compounds similar to Spiro-ether.

Sources

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

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