Chemical Properties of 1H-Indene, 2,3,4,5,6,7-hexahydro-

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

Other Names

• 4,5,6,7-Tetrahydroindan

• 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).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	33.96	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	7.34	kJ/mol	Joback Calculated Property
IE	8.23	eV	Relay (1.0) Calculated Property
logPoct/wat	3.041		Crippen Calculated Property
McVol	111.650	ml/mol	McGowan 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	448.04	K	Relay (1.0) Calculated Property
Tfus	273.56	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of vaporization at standard conditions, 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[128.94; 397.76]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-9.66400e+01
Coefficient B			1.00980e+00
Coefficient C			-7.31000e-04
Coefficient D			2.15600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	128.94	J/mol×K	273.00	Calculated Property
Cp,gas	178.66	J/mol×K	353.78	Calculated Property
Cp,gas	221.83	J/mol×K	434.56	Calculated Property
Cp,gas	259.12	J/mol×K	515.33	Calculated Property
Cp,gas	291.22	J/mol×K	596.11	Calculated Property
Cp,gas	318.82	J/mol×K	676.89	Calculated Property
Cp,gas	342.59	J/mol×K	757.67	Calculated Property
Cp,gas	363.21	J/mol×K	838.44	Calculated Property
Cp,gas	381.38	J/mol×K	919.22	Calculated Property
Cp,gas	397.76	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0026905; 0.0003709]	Pa×s	[250.79; 470.83]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.01583e+01
Coefficient B			1.06341e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			250.79
Temperature range, max.			470.83
η	0.0026905	Pa×s	250.79	Calculated Property
η	0.0018461	Pa×s	275.24	Calculated Property
η	0.0013470	Pa×s	299.69	Calculated Property
η	0.0010307	Pa×s	324.14	Calculated Property
η	0.0008188	Pa×s	348.59	Calculated Property
η	0.0006704	Pa×s	373.04	Calculated Property
η	0.0005626	Pa×s	397.49	Calculated Property
η	0.0004818	Pa×s	421.94	Calculated Property
η	0.0004197	Pa×s	446.38	Calculated Property
η	0.0003709	Pa×s	470.83	Calculated Property

Similar Compounds

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

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

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