Chemical Properties of Tricyclo[2.2.1.0(2,6)]heptane (CAS 279-19-6)

InChI

InChI=1S/C7H10/c1-4-2-6-5(1)7(6)3-4/h4-7H,1-3H2

InChI Key

BYBGSCXPMGPLFP-UHFFFAOYSA-N

Formula

C7H10

SMILES

C1C2CC3C1C3C2

Molecular Weight¹

94.15

CAS

279-19-6

Other Names

• Nortricyclane
• Nortricyclen
• Nortricyclene
• Tricyclo[2.2.1.0dimethyl2dimethyl,dimethyl6]heptane
• Tricyclo[2.2.1.0^2^,^6]heptane
• Tricyclo[2.2.1.0(2.6)]heptane

• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• Δ_cH°_solid : Standard solid 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).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fH°_liquid : Liquid phase enthalpy of formation at standard conditions (kJ/mol).
• Δ_fH°_solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_subH° : Enthalpy of sublimation at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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).
• 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
ΔcH°liquid	[-4227.10; -4207.80]	kJ/mol
ΔcH°liquid	-4227.10 ± 2.00	kJ/mol	NIST
ΔcH°liquid	-4207.80 ± 2.20	kJ/mol	NIST
ΔcH°solid	-4214.80 ± 1.00	kJ/mol	NIST
ΔfG°	206.80	kJ/mol	Joback Calculated Property
ΔfH°gas	[62.00; 99.60]	kJ/mol
ΔfH°gas	78.20	kJ/mol	NIST
ΔfH°gas	84.50	kJ/mol	NIST
ΔfH°gas	82.10 ± 2.10	kJ/mol	NIST
ΔfH°gas	70.20 ± 1.60	kJ/mol	NIST
ΔfH°gas	62.00 ± 2.30	kJ/mol	NIST
ΔfH°gas	99.60	kJ/mol	NIST
ΔfH°liquid	[24.00; 43.40]	kJ/mol
ΔfH°liquid	43.40 ± 2.00	kJ/mol	NIST
ΔfH°liquid	24.00 ± 2.20	kJ/mol	NIST
ΔfH°solid	31.00 ± 1.10	kJ/mol	NIST
ΔfusH°	13.56	kJ/mol	Joback Calculated Property
ΔsubH°	[38.70; 39.20]	kJ/mol
ΔsubH°	38.70 ± 0.70	kJ/mol	NIST
ΔsubH°	39.20 ± 1.10	kJ/mol	NIST
ΔsubH°	39.20 ± 1.10	kJ/mol	NIST
ΔsubH°	39.20	kJ/mol	NIST
ΔvapH°	[38.00; 38.70]	kJ/mol
ΔvapH°	38.50	kJ/mol	NIST
ΔvapH°	38.70 ± 0.70	kJ/mol	NIST
ΔvapH°	38.70	kJ/mol	NIST
ΔvapH°	38.00 ± 0.08	kJ/mol	NIST
ΔvapH°	38.00	kJ/mol	NIST
IE	[8.70; 9.40]	eV
IE	8.70	eV	NIST
IE	8.92 ± 0.01	eV	NIST
IE	9.02	eV	NIST
IE	9.37	eV	NIST
IE	9.40	eV	NIST
log10WS	-1.47		Crippen Calculated Property
logPoct/wat	1.662		Crippen Calculated Property
McVol	76.910	ml/mol	McGowan Calculated Property
Pc	3990.60	kPa	Joback Calculated Property
Inp	[857.00; 857.00]
Inp	857.00		NIST
Inp	857.00		NIST
Tboil	366.57	K	Joback Calculated Property
Tc	560.65	K	Joback Calculated Property
Tfus	225.27	K	Joback Calculated Property
Vc	0.314	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[148.43; 225.81]	J/mol×K	[366.57; 560.65]
Cp,gas	148.43	J/mol×K	366.57	Joback Calculated Property
Cp,gas	164.06	J/mol×K	398.92	Joback Calculated Property
Cp,gas	178.49	J/mol×K	431.26	Joback Calculated Property
Cp,gas	191.80	J/mol×K	463.61	Joback Calculated Property
Cp,gas	204.06	J/mol×K	495.96	Joback Calculated Property
Cp,gas	215.38	J/mol×K	528.30	Joback Calculated Property
Cp,gas	225.81	J/mol×K	560.65	Joback Calculated Property
Cp,solid	[110.20; 129.00]	J/mol×K	[297.00; 298.15]
Cp,solid	110.20	J/mol×K	297.00	NIST
Cp,solid	129.00	J/mol×K	298.15	NIST
η	[0.0000673; 0.0005736]	Pa×s	[225.27; 366.57]
η	0.0000673	Pa×s	225.27	Joback Calculated Property
η	0.0001139	Pa×s	248.82	Joback Calculated Property
η	0.0001760	Pa×s	272.37	Joback Calculated Property
η	0.0002537	Pa×s	295.92	Joback Calculated Property
η	0.0003466	Pa×s	319.47	Joback Calculated Property
η	0.0004537	Pa×s	343.02	Joback Calculated Property
η	0.0005736	Pa×s	366.57	Joback Calculated Property
ΔvapH	38.30	kJ/mol	319.50	NIST

Similar Compounds

Find more compounds similar to Tricyclo[2.2.1.0(2,6)]heptane.

Sources

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

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