Chemical Properties of Trispiro[2.0.0.2.1.1]nonane (CAS 50874-24-3)

InChI

InChI=1S/C9H12/c1-2-7(1)5-9(7)6-8(9)3-4-8/h1-6H2

InChI Key

JCHCWAJGYWGXMQ-UHFFFAOYSA-N

Formula

C9H12

SMILES

C1CC12CC21CC12CC2

Molecular Weight¹

120.19

CAS

50874-24-3

• 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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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	-5644.40 ± 6.70	kJ/mol	NIST
ΔfG°	295.44	kJ/mol	Joback Calculated Property
ΔfH°gas	429.90	kJ/mol	NIST
ΔfH°liquid	387.80 ± 6.80	kJ/mol	NIST
ΔfusH°	-2.06	kJ/mol	Joback Calculated Property
ΔvapH°	[42.10; 42.10]	kJ/mol
ΔvapH°	42.10	kJ/mol	NIST
ΔvapH°	42.10	kJ/mol	NIST
log10WS	-2.44		Crippen Calculated Property
logPoct/wat	2.341		Crippen Calculated Property
McVol	94.230	ml/mol	McGowan Calculated Property
Pc	4634.00	kPa	Joback Calculated Property
Tboil	424.86	K	Joback Calculated Property
Tc	654.85	K	Joback Calculated Property
Tfus	349.45	K	Joback Calculated Property
Vc	0.387	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[218.86; 297.05]	J/mol×K	[424.86; 654.85]
Cp,gas	218.86	J/mol×K	424.86	Joback Calculated Property
Cp,gas	237.89	J/mol×K	463.19	Joback Calculated Property
Cp,gas	253.85	J/mol×K	501.52	Joback Calculated Property
Cp,gas	267.23	J/mol×K	539.86	Joback Calculated Property
Cp,gas	278.55	J/mol×K	578.19	Joback Calculated Property
Cp,gas	288.32	J/mol×K	616.52	Joback Calculated Property
Cp,gas	297.05	J/mol×K	654.85	Joback Calculated Property
ΔvapH	46.30 ± 0.50	kJ/mol	294.50	NIST

Similar Compounds

Find more compounds similar to Trispiro[2.0.0.2.1.1]nonane.

Sources

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

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