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

• ω : Acentric Factor.
• 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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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).
• P_vap : Vapor pressure (kPa).
• I_np : Non-polar retention indices.
• 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
ω	0.2235		Relay (1.0) Calculated Property
ΔfG°	170.02	kJ/mol	Joback Calculated Property
ΔfH°gas	121.71	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	11.48	kJ/mol	Joback Calculated Property
ΔvapH°	47.69	kJ/mol	Relay (1.0) Calculated Property
IE	8.78	eV	NIST
log10WS	-3.86		Relay (1.0) Calculated Property
logPoct/wat	2.529		Crippen Calculated Property
McVol	107.350	ml/mol	McGowan Calculated Property
Pc	3564.27	kPa	Joback Calculated Property
Inp	[952.00; 952.00]
Inp	952.00		NIST
Inp	952.00		NIST
Tboil	427.15	K	Relay (1.0) Calculated Property
Tc	638.66	K	Relay (1.0) Calculated Property
Tfus	250.03	K	Relay (1.0) Calculated Property
Vc	0.376	m3/kmol	Relay (1.0) 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
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)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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