Chemical Properties of endo-2-(Prop-2-ynyloxycarbonyl)bicyclo[2.2.1]hept-5-ene

InChI

InChI=1S/C11H12O2/c1-2-5-13-11(12)10-7-8-3-4-9(10)6-8/h1,3-4,8-10H,5-7H2/t8-,9?,10+/m1/s1

InChI Key

WITAKKIPQQHPBU-FIBVVXLUSA-N

Formula

C11H12O2

SMILES

C#CCOC(=O)C1CC2C=CC1C2

Molecular Weight¹

176.21

• 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°	162.54	kJ/mol	Joback Calculated Property
ΔfH°gas	-46.39	kJ/mol	Joback Calculated Property
ΔfusH°	26.47	kJ/mol	Joback Calculated Property
ΔvapH°	49.08	kJ/mol	Joback Calculated Property
log10WS	-2.00		Crippen Calculated Property
logPoct/wat	1.375		Crippen Calculated Property
McVol	138.670	ml/mol	McGowan Calculated Property
Pc	3114.04	kPa	Joback Calculated Property
Inp	[1240.00; 1240.00]
Inp	1240.00		NIST
Inp	1240.00		NIST
Tboil	529.73	K	Joback Calculated Property
Tc	749.07	K	Joback Calculated Property
Tfus	361.74	K	Joback Calculated Property
Vc	0.528	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[333.65; 413.52]	J/mol×K	[529.73; 749.07]
Cp,gas	333.65	J/mol×K	529.73	Joback Calculated Property
Cp,gas	349.39	J/mol×K	566.29	Joback Calculated Property
Cp,gas	364.06	J/mol×K	602.84	Joback Calculated Property
Cp,gas	377.75	J/mol×K	639.40	Joback Calculated Property
Cp,gas	390.51	J/mol×K	675.96	Joback Calculated Property
Cp,gas	402.41	J/mol×K	712.52	Joback Calculated Property
Cp,gas	413.52	J/mol×K	749.07	Joback Calculated Property

Similar Compounds

Find more compounds similar to endo-2-(Prop-2-ynyloxycarbonyl)bicyclo[2.2.1]hept-5-ene.

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.