Chemical Properties of Tetracyclo[3.2.0.0(2,7).0(4,6)]heptane (CAS 278-06-8)

InChI

InChI=1S/C7H8/c1-2-4-5(2)7-3(1)6(4)7/h2-7H,1H2

InChI Key

DGZUEIPKRRSMGK-UHFFFAOYSA-N

Formula

C7H8

SMILES

C1C2C3C2C2C1C32

Molecular Weight¹

92.14

CAS

278-06-8

Other Names

• Quadricyclane
• Tetracyclo[2.2.1.0(2,6).0(3,5)]heptane
• [2.2.1.02,6.03,5]Quadricycloheptane
• tetracyclo[2.2.1.02,6.03,5]heptane

• 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).
• 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).
• P_vap : Vapor pressure (kPa).
• Δ_fusS : Entropy of fusion at a given temperature (J/mol×K).
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (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	[-4200.00; -4114.30]	kJ/mol
ΔcH°liquid	-4200.00 ± 2.20	kJ/mol	NIST
ΔcH°liquid	-4114.30 ± 1.10	kJ/mol	NIST
ΔfG°	296.14	kJ/mol	Joback Calculated Property
ΔfH°gas	[253.30; 339.10]	kJ/mol
ΔfH°gas	336.00	kJ/mol	NIST
ΔfH°gas	333.00	kJ/mol	NIST
ΔfH°gas	339.10 ± 2.30	kJ/mol	NIST
ΔfH°gas	325.00 ± 4.20	kJ/mol	NIST
ΔfH°gas	253.30 ± 1.10	kJ/mol	NIST
ΔfH°liquid	[216.30; 302.10]	kJ/mol
ΔfH°liquid	302.10 ± 2.20	kJ/mol	NIST
ΔfH°liquid	216.30 ± 1.10	kJ/mol	NIST
ΔfusH°	19.07	kJ/mol	Joback Calculated Property
ΔvapH°	[37.00; 37.90]	kJ/mol
ΔvapH°	37.85 ± 0.44	kJ/mol	NIST
ΔvapH°	37.90 ± 0.10	kJ/mol	NIST
ΔvapH°	37.90 ± 0.10	kJ/mol	NIST
ΔvapH°	37.00 ± 0.80	kJ/mol	NIST
ΔvapH°	37.00	kJ/mol	NIST
ΔvapH°	37.00 ± 0.80	kJ/mol	NIST
ΔvapH°	37.00 ± 0.20	kJ/mol	NIST
ΔvapH°	37.00	kJ/mol	NIST
IE	[7.80; 8.70]	eV
IE	7.80	eV	NIST
IE	8.70	eV	NIST
IE	8.33	eV	NIST
log10WS	-0.88		Crippen Calculated Property
logPoct/wat	1.128		Crippen Calculated Property
McVol	66.050	ml/mol	McGowan Calculated Property
Pc	4103.88	kPa	Joback Calculated Property
Tboil	355.83	K	Joback Calculated Property
Tc	541.30	K	Joback Calculated Property
Tfus	249.53	K	Joback Calculated Property
Vc	0.293	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[137.29; 210.09]	J/mol×K	[355.83; 541.30]
Cp,gas	137.29	J/mol×K	355.83	Joback Calculated Property
Cp,gas	152.46	J/mol×K	386.74	Joback Calculated Property
Cp,gas	166.29	J/mol×K	417.65	Joback Calculated Property
Cp,gas	178.87	J/mol×K	448.56	Joback Calculated Property
Cp,gas	190.29	J/mol×K	479.47	Joback Calculated Property
Cp,gas	200.66	J/mol×K	510.39	Joback Calculated Property
Cp,gas	210.09	J/mol×K	541.30	Joback Calculated Property
Cp,liquid	[139.10; 157.60]	J/mol×K	[297.00; 298.15]
Cp,liquid	139.10	J/mol×K	297.00	NIST
Cp,liquid	157.60	J/mol×K	298.15	NIST
η	[0.0000245; 0.0005902]	Pa×s	[249.53; 355.83]
η	0.0000245	Pa×s	249.53	Joback Calculated Property
η	0.0000497	Pa×s	267.25	Joback Calculated Property
η	0.0000922	Pa×s	284.96	Joback Calculated Property
η	0.0001591	Pa×s	302.68	Joback Calculated Property
η	0.0002585	Pa×s	320.40	Joback Calculated Property
η	0.0003992	Pa×s	338.11	Joback Calculated Property
η	0.0005902	Pa×s	355.83	Joback Calculated Property
ΔfusH	[1.09; 7.20]	kJ/mol	[180.00; 228.00]
ΔfusH	7.20	kJ/mol	180.00	NIST
ΔfusH	1.09	kJ/mol	228.00	NIST
ΔfusH	1.09	kJ/mol	228.00	NIST
ΔvapH	37.30 ± 0.80	kJ/mol	337.00	NIST
ΔfusS	[4.80; 40.00]	J/mol×K	[180.00; 228.00]
ΔfusS	40.00	J/mol×K	180.00	NIST
ΔfusS	4.80	J/mol×K	228.00	NIST

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[278.94; 404.44]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.47079e+01
Coefficient B			-3.38474e+03
Coefficient C			-4.42240e+01
Temperature range, min.			278.94
Temperature range, max.			404.44
Pvap	1.33	kPa	278.94	Calculated Property
Pvap	2.99	kPa	292.88	Calculated Property
Pvap	6.16	kPa	306.83	Calculated Property
Pvap	11.81	kPa	320.77	Calculated Property
Pvap	21.25	kPa	334.72	Calculated Property
Pvap	36.23	kPa	348.66	Calculated Property
Pvap	58.96	kPa	362.61	Calculated Property
Pvap	92.11	kPa	376.55	Calculated Property
Pvap	138.81	kPa	390.50	Calculated Property
Pvap	202.66	kPa	404.44	Calculated Property

Similar Compounds

Find more compounds similar to Tetracyclo[3.2.0.0(2,7).0(4,6)]heptane.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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