Chemical Properties of endo-2-(1,1-Dimethylprop-2-ynyloxycarbonyl)bicyclo-2.2.1]hept-5-ene

InChI

InChI=1S/C13H16O2/c1-4-13(2,3)15-12(14)11-8-9-5-6-10(11)7-9/h1,5-6,9-11H,7-8H2,2-3H3/t9-,10?,11+/m1/s1

InChI Key

CKKZVCNCQWQXIL-FBKFWFMHSA-N

Formula

C13H16O2

SMILES

C#CC(C)(C)OC(=O)C1CC2C=CC1C2

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°	182.22	kJ/mol	Joback Calculated Property
ΔfH°gas	-96.42	kJ/mol	Joback Calculated Property
ΔfusH°	24.24	kJ/mol	Joback Calculated Property
ΔvapH°	52.23	kJ/mol	Joback Calculated Property
log10WS	-2.95		Crippen Calculated Property
logPoct/wat	2.154		Crippen Calculated Property
McVol	166.850	ml/mol	McGowan Calculated Property
Pc	2589.85	kPa	Joback Calculated Property
Inp	[1268.00; 1268.00]
Inp	1268.00		NIST
Inp	1268.00		NIST
Tboil	572.26	K	Joback Calculated Property
Tc	797.55	K	Joback Calculated Property
Tfus	386.70	K	Joback Calculated Property
Vc	0.629	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[432.35; 522.79]	J/mol×K	[572.26; 797.55]
Cp,gas	432.35	J/mol×K	572.26	Joback Calculated Property
Cp,gas	450.41	J/mol×K	609.81	Joback Calculated Property
Cp,gas	467.15	J/mol×K	647.36	Joback Calculated Property
Cp,gas	482.65	J/mol×K	684.91	Joback Calculated Property
Cp,gas	497.03	J/mol×K	722.46	Joback Calculated Property
Cp,gas	510.37	J/mol×K	760.01	Joback Calculated Property
Cp,gas	522.79	J/mol×K	797.55	Joback Calculated Property

Similar Compounds

Find more compounds similar to endo-2-(1,1-Dimethylprop-2-ynyloxycarbonyl)bicyclo-2.2.1]hept-5-ene.

Sources

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

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