Chemical Properties of Tetracyclo[3.3.1.0(2,8).0(4,6)]nonane (CAS 3105-29-1)

InChI

InChI=1S/C9H12/c1-4-6-2-7-5(1)9(7)3-8(4)6/h4-9H,1-3H2

InChI Key

YTFCTXSQQPWYFH-UHFFFAOYSA-N

Formula

C9H12

SMILES

C1C2C3CC4C1C4CC23

Molecular Weight¹

120.19

CAS

3105-29-1

Other Names

• Triasterane

• 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_fusH° : Enthalpy of fusion at standard conditions (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).
• 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
ΔfG°	288.78	kJ/mol	Joback Calculated Property
ΔfH°gas	39.91	kJ/mol	Joback Calculated Property
ΔfusH°	20.05	kJ/mol	Joback Calculated Property
ΔvapH°	34.15	kJ/mol	Joback Calculated Property
IE	[8.20; 8.67]	eV
IE	8.20	eV	NIST
IE	8.67	eV	NIST
log10WS	-1.72		Crippen Calculated Property
logPoct/wat	1.908		Crippen Calculated Property
McVol	94.230	ml/mol	McGowan Calculated Property
Pc	3448.03	kPa	Joback Calculated Property
Tboil	410.13	K	Joback Calculated Property
Tc	609.46	K	Joback Calculated Property
Tfus	265.03	K	Joback Calculated Property
Vc	0.390	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[215.86; 305.94]	J/mol×K	[410.13; 609.46]
Cp,gas	215.86	J/mol×K	410.13	Joback Calculated Property
Cp,gas	234.21	J/mol×K	443.35	Joback Calculated Property
Cp,gas	251.07	J/mol×K	476.57	Joback Calculated Property
Cp,gas	266.56	J/mol×K	509.80	Joback Calculated Property
Cp,gas	280.79	J/mol×K	543.02	Joback Calculated Property
Cp,gas	293.88	J/mol×K	576.24	Joback Calculated Property
Cp,gas	305.94	J/mol×K	609.46	Joback Calculated Property
η	[0.0001232; 0.0018785]	Pa×s	[265.03; 410.13]
η	0.0001232	Pa×s	265.03	Joback Calculated Property
η	0.0002345	Pa×s	289.21	Joback Calculated Property
η	0.0004043	Pa×s	313.40	Joback Calculated Property
η	0.0006447	Pa×s	337.58	Joback Calculated Property
η	0.0009657	Pa×s	361.76	Joback Calculated Property
η	0.0013753	Pa×s	385.95	Joback Calculated Property
η	0.0018785	Pa×s	410.13	Joback Calculated Property

Similar Compounds

Find more compounds similar to Tetracyclo[3.3.1.0(2,8).0(4,6)]nonane.

Sources

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

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