Chemical Properties of 1H-Indene, 3a,4,7,7a-tetrahydro-, trans- (CAS 66563-20-0)

InChI

InChI=1S/C9H12/c1-2-5-9-7-3-6-8(9)4-1/h1-3,6,8-9H,4-5,7H2/t8-,9-/m1/s1

InChI Key

UFERIGCCDYCZLN-RKDXNWHRSA-N

Formula

C9H12

SMILES

C1=CCC2CC=CC2C1

Molecular Weight¹

120.19

CAS

66563-20-0

Other Names

• Bicyclo[4.3.0]nona-3,7-diene, trans-

• 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°	170.02	kJ/mol	Joback Calculated Property
ΔfH°gas	13.59	kJ/mol	Joback Calculated Property
ΔfusH°	11.48	kJ/mol	Joback Calculated Property
ΔvapH°	36.55	kJ/mol	Joback Calculated Property
IE	[8.72; 8.89]	eV
IE	8.72	eV	NIST
IE	8.89	eV	NIST
log10WS	-2.60		Crippen Calculated Property
logPoct/wat	2.529		Crippen Calculated Property
McVol	107.350	ml/mol	McGowan Calculated Property
Pc	3564.27	kPa	Joback Calculated Property
Tboil	429.93	K	Joback Calculated Property
Tc	650.87	K	Joback Calculated Property
Tfus	218.03	K	Joback Calculated Property
Vc	0.402	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[212.74; 302.82]	J/mol×K	[429.93; 650.87]
Cp,gas	212.74	J/mol×K	429.93	Joback Calculated Property
Cp,gas	230.54	J/mol×K	466.75	Joback Calculated Property
Cp,gas	247.14	J/mol×K	503.58	Joback Calculated Property
Cp,gas	262.61	J/mol×K	540.40	Joback Calculated Property
Cp,gas	277.00	J/mol×K	577.22	Joback Calculated Property
Cp,gas	290.38	J/mol×K	614.05	Joback Calculated Property
Cp,gas	302.82	J/mol×K	650.87	Joback Calculated Property
η	[0.0004197; 0.0015390]	Pa×s	[218.03; 429.93]
η	0.0015390	Pa×s	218.03	Joback Calculated Property
η	0.0010657	Pa×s	253.35	Joback Calculated Property
η	0.0008074	Pa×s	288.66	Joback Calculated Property
η	0.0006499	Pa×s	323.98	Joback Calculated Property
η	0.0005459	Pa×s	359.30	Joback Calculated Property
η	0.0004731	Pa×s	394.61	Joback Calculated Property
η	0.0004197	Pa×s	429.93	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1H-Indene, 3a,4,7,7a-tetrahydro-, trans-.

Sources

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

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