Chemical Properties of Tetraspiro[2.0.0.0.2.1.1.1]undecane (CAS 129872-30-6)

InChI

InChI=1S/C11H14/c1-2-8(1)5-10(8)7-11(10)6-9(11)3-4-9/h1-7H2

InChI Key

JISOCMQWQHEYKJ-UHFFFAOYSA-N

Formula

C11H14

SMILES

C1CC12CC21CC12CC21CC1

Molecular Weight¹

146.23

CAS

129872-30-6

• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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	-6818.00 ± 6.60	kJ/mol	NIST
ΔfG°	379.64	kJ/mol	Joback Calculated Property
ΔfH°gas	544.00 ± 6.80	kJ/mol	NIST
ΔfH°liquid	488.60 ± 6.80	kJ/mol	NIST
ΔfusH°	-2.94	kJ/mol	Joback Calculated Property
ΔvapH°	[55.40; 55.40]	kJ/mol
ΔvapH°	55.40 ± 0.40	kJ/mol	NIST
ΔvapH°	55.40	kJ/mol	NIST
log10WS	-2.93		Crippen Calculated Property
logPoct/wat	2.731		Crippen Calculated Property
McVol	111.550	ml/mol	McGowan Calculated Property
Pc	4379.97	kPa	Joback Calculated Property
Tboil	473.33	K	Joback Calculated Property
Tc	716.92	K	Joback Calculated Property
Tfus	417.35	K	Joback Calculated Property
Vc	0.462	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[293.93; 373.38]	J/mol×K	[473.33; 716.92]
Cp,gas	293.93	J/mol×K	473.33	Joback Calculated Property
Cp,gas	313.05	J/mol×K	513.93	Joback Calculated Property
Cp,gas	328.77	J/mol×K	554.53	Joback Calculated Property
Cp,gas	341.88	J/mol×K	595.12	Joback Calculated Property
Cp,gas	353.16	J/mol×K	635.72	Joback Calculated Property
Cp,gas	363.40	J/mol×K	676.32	Joback Calculated Property
Cp,gas	373.38	J/mol×K	716.92	Joback Calculated Property

Similar Compounds

Find more compounds similar to Tetraspiro[2.0.0.0.2.1.1.1]undecane.

Sources

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

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