Chemical Properties of 1H-Indene, 2,3-dihydro-1,4,7-trimethyl- (CAS 54340-87-3)

InChI

InChI=1S/C12H16/c1-8-4-5-9(2)12-10(3)6-7-11(8)12/h4-5,10H,6-7H2,1-3H3

InChI Key

VPYDMFMIOKBZIO-UHFFFAOYSA-N

Formula

C12H16

SMILES

Cc1ccc(C)c2c1CCC2C

Molecular Weight¹

160.26

CAS

54340-87-3

Other Names

• 1,4,7-Trimethyl-(2,3-dihydroindene)
• 1,4,7-Trimethylindan
• 2,3-Dihydro-1,4,7-trimethyl-1H-indene

• 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).
• 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
ΔfG°	194.43	kJ/mol	Joback Calculated Property
ΔfH°gas	-16.09	kJ/mol	Joback Calculated Property
ΔfusH°	17.85	kJ/mol	Joback Calculated Property
ΔvapH°	46.48	kJ/mol	Joback Calculated Property
log10WS	-3.89		Crippen Calculated Property
logPoct/wat	3.353		Crippen Calculated Property
McVol	145.320	ml/mol	McGowan Calculated Property
Pc	2619.09	kPa	Joback Calculated Property
Inp	[226.59; 1288.00]
Inp	1288.00		NIST
Inp	226.59		NIST
Tboil	522.32	K	Joback Calculated Property
Tc	740.90	K	Joback Calculated Property
Tfus	306.92	K	Joback Calculated Property
Vc	0.556	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[333.14; 420.33]	J/mol×K	[522.32; 740.90]
Cp,gas	333.14	J/mol×K	522.32	Joback Calculated Property
Cp,gas	349.98	J/mol×K	558.75	Joback Calculated Property
Cp,gas	365.83	J/mol×K	595.18	Joback Calculated Property
Cp,gas	380.73	J/mol×K	631.61	Joback Calculated Property
Cp,gas	394.75	J/mol×K	668.04	Joback Calculated Property
Cp,gas	407.93	J/mol×K	704.47	Joback Calculated Property
Cp,gas	420.33	J/mol×K	740.90	Joback Calculated Property
η	[0.0003923; 0.0011556]	Pa×s	[306.92; 522.32]
η	0.0011556	Pa×s	306.92	Joback Calculated Property
η	0.0008783	Pa×s	342.82	Joback Calculated Property
η	0.0007032	Pa×s	378.72	Joback Calculated Property
η	0.0005851	Pa×s	414.62	Joback Calculated Property
η	0.0005013	Pa×s	450.52	Joback Calculated Property
η	0.0004395	Pa×s	486.42	Joback Calculated Property
η	0.0003923	Pa×s	522.32	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[373.39; 557.45]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.32644e+01
Coefficient B			-3.78101e+03
Coefficient C			-8.20230e+01
Temperature range, min.			373.39
Temperature range, max.			557.45
Pvap	1.33	kPa	373.39	Calculated Property
Pvap	3.12	kPa	393.84	Calculated Property
Pvap	6.59	kPa	414.29	Calculated Property
Pvap	12.74	kPa	434.74	Calculated Property
Pvap	22.93	kPa	455.19	Calculated Property
Pvap	38.81	kPa	475.65	Calculated Property
Pvap	62.37	kPa	496.10	Calculated Property
Pvap	95.86	kPa	516.55	Calculated Property
Pvap	141.75	kPa	537.00	Calculated Property
Pvap	202.66	kPa	557.45	Calculated Property

Similar Compounds

Find more compounds similar to 1H-Indene, 2,3-dihydro-1,4,7-trimethyl-.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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