Chemical Properties of Tricyclo[4.2.1.02,5]non-7-ene,exo- (CAS 16529-82-1)

InChI

InChI=1S/C13H20/c1-10-5-6-11(2,9-10)13(4)8-7-12(10,13)3/h5-6H,7-9H2,1-4H3/t10-,11+,12+,13-

InChI Key

AHMLVPKGCGGWRH-FNFFVJSTSA-N

Formula

C9H12

SMILES

CC12C=CC(C)(C1)C1(C)CCC21C

Molecular Weight¹

120.19

CAS

16529-82-1

• 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).
• 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°	241.12	kJ/mol	Joback Calculated Property
ΔfH°gas	5.15	kJ/mol	Joback Calculated Property
ΔfusH°	0.93	kJ/mol	Joback Calculated Property
ΔvapH°	39.65	kJ/mol	Joback Calculated Property
IE	[8.30; 8.70]	eV
IE	8.30	eV	NIST
IE	8.70 ± 0.05	eV	NIST
log10WS	-3.84		Crippen Calculated Property
logPoct/wat	3.779		Crippen Calculated Property
McVol	157.150	ml/mol	McGowan Calculated Property
Pc	2790.61	kPa	Joback Calculated Property
Tboil	512.51	K	Joback Calculated Property
Tc	748.07	K	Joback Calculated Property
Tfus	382.21	K	Joback Calculated Property
Vc	0.612	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[399.12; 498.80]	J/mol×K	[512.51; 748.07]
Cp,gas	399.12	J/mol×K	512.51	Joback Calculated Property
Cp,gas	419.50	J/mol×K	551.77	Joback Calculated Property
Cp,gas	437.60	J/mol×K	591.03	Joback Calculated Property
Cp,gas	454.00	J/mol×K	630.29	Joback Calculated Property
Cp,gas	469.27	J/mol×K	669.55	Joback Calculated Property
Cp,gas	484.01	J/mol×K	708.81	Joback Calculated Property
Cp,gas	498.80	J/mol×K	748.07	Joback Calculated Property

Similar Compounds

Find more compounds similar to Tricyclo[4.2.1.02,5]non-7-ene,exo-.

Sources

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

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