Chemical Properties of 1H-Indene, 2,3,4,5,6,7-hexahydro- (CAS 695-90-9)

InChI

InChI=1S/C9H14/c1-2-5-9-7-3-6-8(9)4-1/h1-7H2

InChI Key

CVKGBEGKZIIWRA-UHFFFAOYSA-N

Formula

C9H14

SMILES

C1CCC2=C(C1)CCC2

Molecular Weight¹

122.21

CAS

695-90-9

Other Names

• 4,5,6,7-Tetrahydroindan

• 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).
• 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).
• 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
ΔfG°	136.22	kJ/mol	Joback Calculated Property
ΔfH°gas	-26.45	kJ/mol	Joback Calculated Property
ΔfusH°	7.34	kJ/mol	Joback Calculated Property
ΔvapH°	38.20	kJ/mol	Joback Calculated Property
log10WS	-3.23		Crippen Calculated Property
logPoct/wat	3.041		Crippen Calculated Property
McVol	111.650	ml/mol	McGowan Calculated Property
Pc	3564.27	kPa	Joback Calculated Property
Inp	[1001.00; 1014.80]
Inp	1011.40		NIST
Inp	1009.90		NIST
Inp	1008.60		NIST
Inp	1011.40		NIST
Inp	1014.80		NIST
Inp	1008.60		NIST
Inp	1011.40		NIST
Inp	1014.80		NIST
Inp	1011.40		NIST
Inp	1009.90		NIST
Inp	Outlier 1001.00		NIST
Inp	1011.40		NIST
Inp	1008.60		NIST
Inp	Outlier 1001.00		NIST
Tboil	450.07	K	Joback Calculated Property
Tc	672.32	K	Joback Calculated Property
Tfus	250.79	K	Joback Calculated Property
Vc	0.417	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[229.42; 317.37]	J/mol×K	[450.07; 672.32]
Cp,gas	229.42	J/mol×K	450.07	Joback Calculated Property
Cp,gas	246.71	J/mol×K	487.11	Joback Calculated Property
Cp,gas	262.86	J/mol×K	524.15	Joback Calculated Property
Cp,gas	277.94	J/mol×K	561.20	Joback Calculated Property
Cp,gas	292.00	J/mol×K	598.24	Joback Calculated Property
Cp,gas	305.13	J/mol×K	635.28	Joback Calculated Property
Cp,gas	317.37	J/mol×K	672.32	Joback Calculated Property
η	[0.0004116; 0.0026905]	Pa×s	[250.79; 450.07]
η	0.0026905	Pa×s	250.79	Joback Calculated Property
η	0.0016386	Pa×s	284.00	Joback Calculated Property
η	0.0011072	Pa×s	317.22	Joback Calculated Property
η	0.0008058	Pa×s	350.43	Joback Calculated Property
η	0.0006196	Pa×s	383.64	Joback Calculated Property
η	0.0004968	Pa×s	416.86	Joback Calculated Property
η	0.0004116	Pa×s	450.07	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1H-Indene, 2,3,4,5,6,7-hexahydro-.

Sources

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

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.