Chemical Properties of 1H-Indene, 3a,4,7,7a-tetrahydro- (CAS 3048-65-5)

InChI

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

InChI Key

UFERIGCCDYCZLN-UHFFFAOYSA-N

Formula

C9H12

SMILES

C1=CCC2CC=CC2C1

Molecular Weight¹

120.19

CAS

3048-65-5

Other Names

• 3a,4,7,7a-Tetrahydro-1H-indene
• 3a,4,7,7a-Tetrahydroindene
• 4,7,8,9-Tetrahydroindene
• Bicyclo(4,3,0)nona-3,7-diene
• Bicyclo[4.3.0]nona-3,7-diene
• Indene, 3a,4,7,7a-tetrahydro-
• Tetrahydroindene

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (kJ/mol).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_vap : Vapor pressure (kPa).
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	121.71	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	11.48	kJ/mol	Joback Calculated Property
ΔvapH°	48.88	kJ/mol	Relay (1.0) Calculated Property
IE	8.78	eV	NIST
logPoct/wat	2.529		Crippen Calculated Property
McVol	107.350	ml/mol	McGowan Calculated Property
Inp	[952.00; 952.00]
Inp	952.00		NIST
Inp	952.00		NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[212.84; 302.91]	J/mol×K	[430.13; 651.18]
Cp,gas	212.84	J/mol×K	430.13	Joback Calculated Property
Cp,gas	230.64	J/mol×K	466.97	Joback Calculated Property
Cp,gas	247.24	J/mol×K	503.81	Joback Calculated Property
Cp,gas	262.71	J/mol×K	540.65	Joback Calculated Property
Cp,gas	277.10	J/mol×K	577.49	Joback Calculated Property
Cp,gas	290.48	J/mol×K	614.33	Joback Calculated Property
Cp,gas	302.91	J/mol×K	651.18	Joback Calculated Property
η	[0.0004194; 0.0015390]	Pa×s	[218.03; 430.13]
η	0.0015390	Pa×s	218.03	Joback Calculated Property
η	0.0010654	Pa×s	253.38	Joback Calculated Property
η	0.0008070	Pa×s	288.73	Joback Calculated Property
η	0.0006495	Pa×s	324.08	Joback Calculated Property
η	0.0005456	Pa×s	359.43	Joback Calculated Property
η	0.0004728	Pa×s	394.78	Joback Calculated Property
η	0.0004194	Pa×s	430.13	Joback Calculated Property
ΔvapH	42.30	kJ/mol	389.00	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.67]	kPa	[316.20; 459.81]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.58796e+01
Coefficient B			-4.71010e+03
Coefficient C			-1.41180e+01
Temperature range, min.			316.20
Temperature range, max.			459.81
Pvap	1.33	kPa	316.20	Calculated Property
Pvap	2.91	kPa	332.16	Calculated Property
Pvap	5.91	kPa	348.11	Calculated Property
Pvap	11.25	kPa	364.07	Calculated Property
Pvap	20.23	kPa	380.03	Calculated Property
Pvap	34.65	kPa	395.98	Calculated Property
Pvap	56.82	kPa	411.94	Calculated Property
Pvap	89.70	kPa	427.90	Calculated Property
Pvap	136.89	kPa	443.85	Calculated Property
Pvap	202.67	kPa	459.81	Calculated Property

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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