Chemical Properties of exo-2-(1,1-Dimethylpent-2-yn-4-enyloxycarbonyl)bicyclo[2.2.1]hept-5-ene

InChI

InChI=1S/C15H18O2/c1-4-5-8-15(2,3)17-14(16)13-10-11-6-7-12(13)9-11/h4,6-7,11-13H,1,9-10H2,2-3H3/t11-,12?,13-/m1/s1

InChI Key

CUXQPFYTGKBHMG-LKOMHFJYSA-N

Formula

C15H18O2

SMILES

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

Molecular Weight¹

230.30

• 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°	266.63	kJ/mol	Joback Calculated Property
ΔfH°gas	-31.87	kJ/mol	Joback Calculated Property
ΔfusH°	28.28	kJ/mol	Joback Calculated Property
ΔvapH°	58.31	kJ/mol	Joback Calculated Property
log10WS	-3.64		Crippen Calculated Property
logPoct/wat	2.710		Crippen Calculated Property
McVol	190.730	ml/mol	McGowan Calculated Property
Pc	2261.11	kPa	Joback Calculated Property
Inp	[1234.00; 1234.00]
Inp	1234.00		NIST
Inp	1234.00		NIST
Tboil	633.58	K	Joback Calculated Property
Tc	865.81	K	Joback Calculated Property
Tfus	466.61	K	Joback Calculated Property
Vc	0.723	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[515.36; 609.51]	J/mol×K	[633.58; 865.81]
Cp,gas	515.36	J/mol×K	633.58	Joback Calculated Property
Cp,gas	534.07	J/mol×K	672.29	Joback Calculated Property
Cp,gas	551.43	J/mol×K	710.99	Joback Calculated Property
Cp,gas	567.55	J/mol×K	749.70	Joback Calculated Property
Cp,gas	582.52	J/mol×K	788.40	Joback Calculated Property
Cp,gas	596.48	J/mol×K	827.11	Joback Calculated Property
Cp,gas	609.51	J/mol×K	865.81	Joback Calculated Property

Similar Compounds

Find more compounds similar to exo-2-(1,1-Dimethylpent-2-yn-4-enyloxycarbonyl)bicyclo[2.2.1]hept-5-ene.

Sources

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

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