Chemical Properties of Exo-bicyclo[2.2.1]heptane-2-carbonitrile

InChI

InChI=1S/C8H11N/c9-5-8-4-6-1-2-7(8)3-6/h6-8H,1-4H2/t6?,7?,8-/m1/s1

InChI Key

GAHKEUUHTHVKEA-RRQHEKLDSA-N

Formula

C8H11N

SMILES

N#C[C@H]1CC2CCC1C2

Molecular Weight¹

121.18

• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,solid : Solid phase heat capacity (J/mol×K).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• S°_{solid,1 bar} : Solid phase molar entropy at standard conditions (J/mol×K).
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (K).
• T_fus : Normal melting (fusion) point (K).
• T_triple : Triple Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔcH°liquid	-4739.20 ± 1.30	kJ/mol	NIST
ΔfH°gas	85.51	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	13.22	kJ/mol	Joback Calculated Property
ΔvapH°	55.75	kJ/mol	Relay (1.0) Calculated Property
IE	9.91	eV	Relay (1.0) Calculated Property
logPoct/wat	1.946		Crippen Calculated Property
McVol	103.240	ml/mol	McGowan Calculated Property
S°solid,1 bar	[230.58; 241.70]	J/mol×K
S°solid,1 bar	241.70	J/mol×K	NIST
S°solid,1 bar	230.58	J/mol×K	NIST
Tboil	478.56	K	Relay (1.0) Calculated Property
Tfus	299.60	K	NIST
Ttriple	[298.80; 298.80]	K
Ttriple	298.80 ± 0.10	K	NIST
Ttriple	298.80 ± 0.10	K	NIST

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[241.64; 316.31]	J/mol×K	[497.60; 721.31]
Cp,gas	241.64	J/mol×K	497.60	Joback Calculated Property
Cp,gas	256.42	J/mol×K	534.88	Joback Calculated Property
Cp,gas	270.18	J/mol×K	572.17	Joback Calculated Property
Cp,gas	282.98	J/mol×K	609.45	Joback Calculated Property
Cp,gas	294.89	J/mol×K	646.74	Joback Calculated Property
Cp,gas	305.98	J/mol×K	684.02	Joback Calculated Property
Cp,gas	316.31	J/mol×K	721.31	Joback Calculated Property
Cp,solid	[200.00; 200.03]	J/mol×K	[280.00; 285.00]
Cp,solid	200.03	J/mol×K	280.00	NIST
Cp,solid	200.00	J/mol×K	285.00	NIST
ΔfusH	2.93	kJ/mol	298.80	NIST

Pressure Dependent Properties

Similar Compounds

Find more compounds similar to Exo-bicyclo[2.2.1]heptane-2-carbonitrile.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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