Chemical Properties of Bicyclo[2.2.1]heptane, 2-methyl-, exo- (CAS 872-78-6)

InChI

InChI=1S/C8H14/c1-6-4-7-2-3-8(6)5-7/h6-8H,2-5H2,1H3/t6-,7?,8?/m1/s1

InChI Key

KWSARSUDWPZTFF-JECWYVHBSA-N

Formula

C8H14

SMILES

CC1CC2CCC1C2

Molecular Weight¹

110.20

CAS

872-78-6

Other Names

• Norbornane, 2-methyl-, exo-
• exo-2-Methylbicyclo[2.2.1]heptane
• exo-2-Methylnorbornane
• exo-2-methylbicyclo-(2,2,1)-heptane

• ω : Acentric Factor.
• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,liquid : Liquid 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_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).
• 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.
• Δ_fusS : Entropy of fusion at a given temperature (J/mol×K).
• S°_liquid : Liquid phase molar entropy at standard conditions (J/mol×K).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• T_triple : Triple Point Temperature (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.2790		Relay (1.0) Calculated Property
ΔcH°liquid	-5026.40 ± 1.10	kJ/mol	NIST
ΔfG°	118.17	kJ/mol	Joback Calculated Property
ΔfH°gas	-82.44	kJ/mol	Relay (1.0) Calculated Property
ΔfH°liquid	-122.50 ± 1.20	kJ/mol	NIST
ΔfusH°	11.72	kJ/mol	Joback Calculated Property
ΔvapH°	40.98	kJ/mol	Relay (1.0) Calculated Property
IE	9.28	eV	Relay (1.0) Calculated Property
log10WS	-4.74		Relay (1.0) Calculated Property
logPoct/wat	2.442		Crippen Calculated Property
McVol	101.860	ml/mol	McGowan Calculated Property
Pc	3325.84	kPa	Joback Calculated Property
Inp	[815.00; 820.80]
Inp	815.00		NIST
Inp	820.80		NIST
Inp	815.00		NIST
S°liquid	246.20	J/mol×K	NIST
Tboil	401.40	K	Relay (1.0) Calculated Property
Tc	624.76	K	Relay (1.0) Calculated Property
Tfus	249.77	K	Relay (1.0) Calculated Property
Ttriple	164.10 ± 0.02	K	NIST
Vc	0.372	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[199.71; 290.77]	J/mol×K	[395.52; 596.29]
Cp,gas	199.71	J/mol×K	395.52	Joback Calculated Property
Cp,gas	217.30	J/mol×K	428.98	Joback Calculated Property
Cp,gas	233.86	J/mol×K	462.44	Joback Calculated Property
Cp,gas	249.43	J/mol×K	495.91	Joback Calculated Property
Cp,gas	264.08	J/mol×K	529.37	Joback Calculated Property
Cp,gas	277.84	J/mol×K	562.83	Joback Calculated Property
Cp,gas	290.77	J/mol×K	596.29	Joback Calculated Property
Cp,liquid	185.80	J/mol×K	298.15	NIST
η	[0.0004672; 0.0004697]	Pa×s	[208.04; 395.52]
η	0.0004672	Pa×s	208.04	Joback Calculated Property
η	0.0004679	Pa×s	239.29	Joback Calculated Property
η	0.0004684	Pa×s	270.53	Joback Calculated Property
η	0.0004688	Pa×s	301.78	Joback Calculated Property
η	0.0004692	Pa×s	333.03	Joback Calculated Property
η	0.0004694	Pa×s	364.27	Joback Calculated Property
η	0.0004697	Pa×s	395.52	Joback Calculated Property
ΔfusH	[8.37; 8.38]	kJ/mol	[164.10; 164.10]
ΔfusH	8.38	kJ/mol	164.10	NIST
ΔfusH	8.37	kJ/mol	164.10	NIST
ΔfusH	8.38	kJ/mol	164.10	NIST
ΔfusS	51.00	J/mol×K	164.10	NIST

Similar Compounds

Find more compounds similar to Bicyclo[2.2.1]heptane, 2-methyl-, exo-.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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