Chemical Properties of 1H-Indene, 2,3-dihydro-1,2-dimethyl- (CAS 17057-82-8)

InChI

InChI=1S/C11H14/c1-8-7-10-5-3-4-6-11(10)9(8)2/h3-6,8-9H,7H2,1-2H3

InChI Key

DIUGYPAVPJILFZ-UHFFFAOYSA-N

Formula

C11H14

SMILES

CC1Cc2ccccc2C1C

Molecular Weight¹

146.23

CAS

17057-82-8

Other Names

• 1,2-Dimethylhydrindene
• 1,2-Dimethylindan
• 1,2-Dimethylindane
• 2,3-Dihydro-1,2-dimethyl-1H-indene
• Indan, 1,2-dimethyl-

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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).
• 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).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	17.10	kJ/mol	Joback Calculated Property
IE	8.30	eV	Relay (1.0) Calculated Property
logPoct/wat	2.982		Crippen Calculated Property
McVol	131.230	ml/mol	McGowan Calculated Property
Pc	2887.40	kPa	Joback Calculated Property
Inp	[214.64; 1130.00]
Inp	214.64		NIST
Inp	1124.70		NIST
Inp	1128.80		NIST
Inp	1124.70		NIST
Inp	1128.80		NIST
Inp	1130.00		NIST
Inp	214.64		NIST
Inp	1130.00		NIST
Tboil	484.96	K	Relay (1.0) Calculated Property
Tc	707.43	K	Relay (1.0) Calculated Property
Vc	0.484	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Enthalpy of formation at standard conditions, 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	[162.95; 451.66]	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			-7.10200e+01
Coefficient B			1.03484e+00
Coefficient C			-7.03560e-04
Coefficient D			1.91400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	162.95	J/mol×K	273.00	Calculated Property
Cp,gas	215.50	J/mol×K	353.78	Calculated Property
Cp,gas	261.52	J/mol×K	434.56	Calculated Property
Cp,gas	301.62	J/mol×K	515.33	Calculated Property
Cp,gas	336.39	J/mol×K	596.11	Calculated Property
Cp,gas	366.46	J/mol×K	676.89	Calculated Property
Cp,gas	392.41	J/mol×K	757.67	Calculated Property
Cp,gas	414.86	J/mol×K	838.44	Calculated Property
Cp,gas	434.40	J/mol×K	919.22	Calculated Property
Cp,gas	451.66	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0010979; 0.0004140]	Pa×s	[266.37; 493.27]	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			-8.93480e+00
Coefficient B			5.64830e+02
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.			266.37
Temperature range, max.			493.27
η	0.0010979	Pa×s	266.37	Calculated Property
η	0.0009140	Pa×s	291.58	Calculated Property
η	0.0007834	Pa×s	316.79	Calculated Property
η	0.0006869	Pa×s	342.00	Calculated Property
η	0.0006133	Pa×s	367.21	Calculated Property
η	0.0005556	Pa×s	392.42	Calculated Property
η	0.0005094	Pa×s	417.63	Calculated Property
η	0.0004716	Pa×s	442.84	Calculated Property
η	0.0004403	Pa×s	468.06	Calculated Property
η	0.0004140	Pa×s	493.27	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[351.32; 538.65]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.27392e+01
Coefficient B			-3.44866e+03
Coefficient C			-7.43540e+01
Temperature range, min.			351.32
Temperature range, max.			538.65
Pvap	1.33	kPa	351.32	Calculated Property
Pvap	3.18	kPa	372.13	Calculated Property
Pvap	6.78	kPa	392.95	Calculated Property
Pvap	13.18	kPa	413.76	Calculated Property
Pvap	23.70	kPa	434.58	Calculated Property
Pvap	39.98	kPa	455.39	Calculated Property
Pvap	63.90	kPa	476.21	Calculated Property
Pvap	97.50	kPa	497.02	Calculated Property
Pvap	143.00	kPa	517.84	Calculated Property
Pvap	202.64	kPa	538.65	Calculated Property

Similar Compounds

Find more compounds similar to 1H-Indene, 2,3-dihydro-1,2-dimethyl-.

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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