Chemical Properties of Tetracyclo[6.2.1.0(2,7).o(3,5)]undecane (CAS 1777-44-2)

InChI

InChI=1S/C11H16/c1-2-7-3-6(1)9-4-8-5-10(8)11(7)9/h6-11H,1-5H2

InChI Key

VBMPZIREYOVDPP-UHFFFAOYSA-N

Formula

C11H16

SMILES

C1CC2CC1C1CC3CC3C21

Molecular Weight¹

148.24

CAS

1777-44-2

• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas 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_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• 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
ΔcH°liquid	-6619.10 ± 3.60	kJ/mol	NIST
ΔfG°	281.42	kJ/mol	Joback Calculated Property
ΔfH°gas	59.00 ± 3.60	kJ/mol	NIST
ΔfH°liquid	3.80 ± 3.60	kJ/mol	NIST
ΔfusH°	21.03	kJ/mol	Joback Calculated Property
ΔvapH°	[55.20; 55.30]	kJ/mol
ΔvapH°	55.30 ± 0.30	kJ/mol	NIST
ΔvapH°	55.20 ± 0.50	kJ/mol	NIST
ΔvapH°	55.20	kJ/mol	NIST
log10WS	-2.56		Crippen Calculated Property
logPoct/wat	2.688		Crippen Calculated Property
McVol	122.410	ml/mol	McGowan Calculated Property
Pc	2937.70	kPa	Joback Calculated Property
Tboil	464.43	K	Joback Calculated Property
Tc	675.33	K	Joback Calculated Property
Tfus	280.53	K	Joback Calculated Property
Vc	0.485	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[305.28; 412.17]	J/mol×K	[464.43; 675.33]
Cp,gas	305.28	J/mol×K	464.43	Joback Calculated Property
Cp,gas	326.72	J/mol×K	499.58	Joback Calculated Property
Cp,gas	346.54	J/mol×K	534.73	Joback Calculated Property
Cp,gas	364.87	J/mol×K	569.88	Joback Calculated Property
Cp,gas	381.83	J/mol×K	605.03	Joback Calculated Property
Cp,gas	397.56	J/mol×K	640.18	Joback Calculated Property
Cp,gas	412.17	J/mol×K	675.33	Joback Calculated Property
η	[0.0004222; 0.0031595]	Pa×s	[280.53; 464.43]
η	0.0004222	Pa×s	280.53	Joback Calculated Property
η	0.0006965	Pa×s	311.18	Joback Calculated Property
η	0.0010505	Pa×s	341.83	Joback Calculated Property
η	0.0014807	Pa×s	372.48	Joback Calculated Property
η	0.0019809	Pa×s	403.13	Joback Calculated Property
η	0.0025433	Pa×s	433.78	Joback Calculated Property
η	0.0031595	Pa×s	464.43	Joback Calculated Property

Similar Compounds

Find more compounds similar to Tetracyclo[6.2.1.0(2,7).o(3,5)]undecane.

Sources

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

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