Chemical Properties of 1H-Indene, 1-methyl- (CAS 767-59-9)

InChI

InChI=1S/C10H10/c1-8-6-7-9-4-2-3-5-10(8)9/h2-8H,1H3

InChI Key

LRTOHSLOFCWHRF-UHFFFAOYSA-N

Formula

C10H10

SMILES

CC1C=Cc2ccccc21

Molecular Weight¹

130.19

CAS

767-59-9

Other Names

• 1-Methylindene
• 1-methyl-1(H)-indene
• ALPHA-METHYLINDENE
• Indene, 1-methyl-
• «alpha»-Methylindene

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,liquid : Liquid phase heat capacity (J/mol×K).
• μ : Dipole Moment (debye).
• 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 a given temperature (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).
• ρ_l : Liquid Density (kg/m³).
• I_np : Non-polar retention indices.
• γ : Surface Tension (N/m).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• λ : Gas thermal conductivity (W/m×K).
• λ : Liquid thermal conductivity (W/m×K).
• U_Qi : UNIQUAC Qi Parameter.
• U_Ri : UNIQUAC Ri Parameter.
• V_c : Critical Volume (m³/kmol).
• Z_c : Critical Compressibility.
• Z_ra : Rackett Parameter.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.3349		ChemSep v8.3 pure component data
μ	0.00	debye	ChemSep v8.3 pure component data
ΔfG°	297.00	kJ/mol	ChemSep v8.3 pure component data
ΔfH°gas	191.20	kJ/mol	ChemSep v8.3 pure component data
ΔfusH°	14.66	kJ/mol	Joback Calculated Property
IE	8.27	eV	NIST
logPoct/wat	2.817		Crippen Calculated Property
McVol	112.840	ml/mol	McGowan Calculated Property
Pc	3460.00	kPa	ChemSep v8.3 pure component data
Inp	[191.70; 1172.00]
Inp	1172.00		NIST
Inp	1124.00		NIST
Inp	191.70		NIST
Inp	193.40		NIST
Inp	192.10		NIST
Inp	192.90		NIST
Inp	193.84		NIST
Inp	1172.00		NIST
Inp	192.10		NIST
Tboil	471.65	K	ChemSep v8.3 pure component data
Tc	703.00	K	ChemSep v8.3 pure component data
UQi	3.42		ChemSep v8.3 pure component data
URi	5.11		ChemSep v8.3 pure component data
Vc	0.436	m3/kmol	ChemSep v8.3 pure component data
Zc	0.2580000		ChemSep v8.3 pure component data
Zra	0.26		ChemSep v8.3 pure component data

Cheméo can also estimate Normal melting (fusion) point, Enthalpy of vaporization at standard conditions, 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	[123.89; 384.55]	J/mol×K	[273.00; 1200.00]	ChemSep v8.3 pure component data
Equation			Y = A + exp(B/T + C + D·T + E·T²) Y is Cp,gas in J/mol×K, T in K
Coefficient A			-1.33130e+02
Coefficient B			-2.13740e+02
Coefficient C			6.28824e+00
Coefficient D			1.73720e-04
Coefficient E			-4.80740e-08
Comment			ChemSep eq 16, IdealGasHeatCapacityCp
Temperature range, min.			273.00
Temperature range, max.			1200.00
Cp,gas	123.89	J/mol×K	273.00	Calculated Property
Cp,gas	190.08	J/mol×K	376.00	Calculated Property
Cp,gas	237.13	J/mol×K	479.00	Calculated Property
Cp,gas	272.65	J/mol×K	582.00	Calculated Property
Cp,gas	300.70	J/mol×K	685.00	Calculated Property
Cp,gas	323.58	J/mol×K	788.00	Calculated Property
Cp,gas	342.66	J/mol×K	891.00	Calculated Property
Cp,gas	358.83	J/mol×K	994.00	Calculated Property
Cp,gas	372.66	J/mol×K	1097.00	Calculated Property
Cp,gas	384.55	J/mol×K	1200.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Cp,liquid	[200.00; 239.35]	J/mol×K	[280.00; 471.65]	ChemSep v8.3 pure component data
Equation			Y = A + exp(B/T + C + D·T + E·T²) Y is Cp,liquid in J/mol×K, T in K
Coefficient A			1.52820e+02
Coefficient B			-1.89880e+02
Coefficient C			3.90224e+00
Coefficient D			2.56000e-03
Coefficient E			-1.10850e-06
Comment			ChemSep eq 16, LiquidHeatCapacityCp
Temperature range, min.			280.00
Temperature range, max.			471.65
Cp,liquid	200.00	J/mol×K	280.00	Calculated Property
Cp,liquid	204.38	J/mol×K	301.29	Calculated Property
Cp,liquid	208.75	J/mol×K	322.59	Calculated Property
Cp,liquid	213.12	J/mol×K	343.88	Calculated Property
Cp,liquid	217.49	J/mol×K	365.18	Calculated Property
Cp,liquid	221.86	J/mol×K	386.47	Calculated Property
Cp,liquid	226.24	J/mol×K	407.77	Calculated Property
Cp,liquid	230.61	J/mol×K	429.06	Calculated Property
Cp,liquid	234.98	J/mol×K	450.36	Calculated Property
Cp,liquid	239.35	J/mol×K	471.65	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0011190; 0.0003620]	Pa×s	[260.10; 492.10]	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			-9.18901e+00
Coefficient B			6.22600e+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.			260.10
Temperature range, max.			492.10
η	0.0011190	Pa×s	260.10	Calculated Property
η	0.0009018	Pa×s	285.88	Calculated Property
η	0.0007531	Pa×s	311.66	Calculated Property
η	0.0006465	Pa×s	337.43	Calculated Property
η	0.0005672	Pa×s	363.21	Calculated Property
η	0.0005063	Pa×s	388.99	Calculated Property
η	0.0004583	Pa×s	414.77	Calculated Property
η	0.0004198	Pa×s	440.54	Calculated Property
η	0.0003882	Pa×s	466.32	Calculated Property
η	0.0003620	Pa×s	492.10	Calculated Property

Property	Value	Unit	Temperature (K)	Source
ΔvapH	[52.58; 17.39]	kJ/mol	[280.00; 680.74]	ChemSep v8.3 pure component data
Equation			Y = A·(1 − Tr)^(B + C·Tr + D·Tr² + E·Tr³), Tr = T/Tc Y is ΔvapH in kJ/mol, T in K
Coefficient A			8.09010e+01
Coefficient B			1.99330e+00
Coefficient C			-4.57330e+00
Coefficient D			5.09800e+00
Coefficient E			-2.09230e+00
Critical temperature, Tc (K)			7.03000e+02
Comment			ChemSep eq 106, HeatOfVaporization
Temperature range, min.			280.00
Temperature range, max.			680.74
ΔvapH	52.58	kJ/mol	280.00	Calculated Property
ΔvapH	50.45	kJ/mol	324.53	Calculated Property
ΔvapH	48.24	kJ/mol	369.05	Calculated Property
ΔvapH	45.79	kJ/mol	413.58	Calculated Property
ΔvapH	43.02	kJ/mol	458.11	Calculated Property
ΔvapH	39.81	kJ/mol	502.63	Calculated Property
ΔvapH	36.10	kJ/mol	547.16	Calculated Property
ΔvapH	31.72	kJ/mol	591.69	Calculated Property
ΔvapH	26.20	kJ/mol	636.21	Calculated Property
ΔvapH	17.39	kJ/mol	680.74	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[348.25; 503.19]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.65394e+01
Coefficient B			-5.62766e+03
Coefficient C			-1.97000e+00
Temperature range, min.			348.25
Temperature range, max.			503.19
Pvap	1.33	kPa	348.25	Calculated Property
Pvap	2.88	kPa	365.47	Calculated Property
Pvap	5.80	kPa	382.68	Calculated Property
Pvap	10.99	kPa	399.90	Calculated Property
Pvap	19.76	kPa	417.11	Calculated Property
Pvap	33.89	kPa	434.33	Calculated Property
Pvap	55.79	kPa	451.54	Calculated Property
Pvap	88.53	kPa	468.76	Calculated Property
Pvap	135.93	kPa	485.97	Calculated Property
Pvap	202.65	kPa	503.19	Calculated Property
Pvap	[0.02; 3419.51]	kPa	[280.00; 703.00]	ChemSep v8.3 pure component data
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is Pvap in kPa, T in K
Coefficient A			7.92805e+01
Coefficient B			-8.85976e+03
Coefficient C			-9.21225e+00
Coefficient D			3.74157e-06
Coefficient E			2.00000e+00
Comment			ChemSep eq 101, VaporPressure
Temperature range, min.			280.00
Temperature range, max.			703.00
Pvap	0.02	kPa	280.00	Calculated Property
Pvap	0.47	kPa	327.00	Calculated Property
Pvap	4.66	kPa	374.00	Calculated Property
Pvap	25.35	kPa	421.00	Calculated Property
Pvap	92.54	kPa	468.00	Calculated Property
Pvap	256.37	kPa	515.00	Calculated Property
Pvap	584.17	kPa	562.00	Calculated Property
Pvap	1156.17	kPa	609.00	Calculated Property
Pvap	2064.77	kPa	656.00	Calculated Property
Pvap	3419.51	kPa	703.00	Calculated Property
Pvap	[1.56; 3436.21]	kPa	[350.00; 703.00]	KDB Vapor Pressure Data
Equation			ln(Y) = A + B/T + C·ln(T) + D·T² + E/T² Y is Pvap in kPa, T in K
Coefficient A			8.55331e+01
Coefficient B			-9.16109e+03
Coefficient C			-1.01485e+01
Coefficient D			4.38586e-06
Coefficient E			0.00000e+00
Temperature range, min.			350.00
Temperature range, max.			703.00
Pvap	1.56	kPa	350.00	Calculated Property
Pvap	8.44	kPa	389.22	Calculated Property
Pvap	31.64	kPa	428.44	Calculated Property
Pvap	91.18	kPa	467.67	Calculated Property
Pvap	216.79	kPa	506.89	Calculated Property
Pvap	446.64	kPa	546.11	Calculated Property
Pvap	825.98	kPa	585.33	Calculated Property
Pvap	1407.21	kPa	624.56	Calculated Property
Pvap	2252.08	kPa	663.78	Calculated Property
Pvap	3436.21	kPa	703.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
ρl	[982.69; 501.97]	kg/m3	[280.00; 680.74]	ChemSep v8.3 pure component data
Equation			Y = A / B^(1 + (1 − T/C)^D) Y is ρl in kg/m3, T in K
Coefficient A			7.96624e+01
Coefficient B			2.59380e-01
Coefficient C			7.03000e+02
Coefficient D			2.92670e-01
Comment			ChemSep eq 105, LiquidDensity
Temperature range, min.			280.00
Temperature range, max.			680.74
ρl	982.69	kg/m3	280.00	Calculated Property
ρl	946.76	kg/m3	324.53	Calculated Property
ρl	909.19	kg/m3	369.05	Calculated Property
ρl	869.60	kg/m3	413.58	Calculated Property
ρl	827.47	kg/m3	458.11	Calculated Property
ρl	781.99	kg/m3	502.63	Calculated Property
ρl	731.84	kg/m3	547.16	Calculated Property
ρl	674.61	kg/m3	591.69	Calculated Property
ρl	604.78	kg/m3	636.21	Calculated Property
ρl	501.97	kg/m3	680.74	Calculated Property

Property	Value	Unit	Temperature (K)	Source
γ	[0.04; 7.80e-04]	N/m	[280.00; 680.74]	ChemSep v8.3 pure component data
Equation			Y = A + exp(B/T + C + D·T + E·T²) Y is γ in N/m, T in K
Coefficient A			-1.10770e-02
Coefficient B			9.88280e+01
Coefficient C			-3.45970e+00
Coefficient D			1.44630e-03
Coefficient E			-4.54210e-06
Comment			ChemSep eq 16, SurfaceTension
Temperature range, min.			280.00
Temperature range, max.			680.74
γ	0.04	N/m	280.00	Calculated Property
γ	0.03	N/m	324.53	Calculated Property
γ	0.03	N/m	369.05	Calculated Property
γ	0.02	N/m	413.58	Calculated Property
γ	0.02	N/m	458.11	Calculated Property
γ	0.01	N/m	502.63	Calculated Property
γ	0.01	N/m	547.16	Calculated Property
γ	0.01	N/m	591.69	Calculated Property
γ	0.00	N/m	636.21	Calculated Property
γ	7.80e-04	N/m	680.74	Calculated Property

Property	Value	Unit	Temperature (K)	Source
λ	[0.02; 0.07]	W/m×K	[471.65; 1000.00]	ChemSep v8.3 pure component data
Equation			Y = A·T^B / (1 + C/T + D/T²) Y is λ in W/m×K, T in K
Coefficient A			9.12670e-05
Coefficient B			1.03850e+00
Coefficient C			7.20720e+02
Coefficient D			-1.94100e+04
Comment			ChemSep eq 102, VaporThermalConductivity
Temperature range, min.			471.65
Temperature range, max.			1000.00
λ	0.02	W/m×K	471.65	Calculated Property
λ	0.03	W/m×K	530.36	Calculated Property
λ	0.03	W/m×K	589.06	Calculated Property
λ	0.04	W/m×K	647.77	Calculated Property
λ	0.04	W/m×K	706.47	Calculated Property
λ	0.05	W/m×K	765.18	Calculated Property
λ	0.05	W/m×K	823.88	Calculated Property
λ	0.06	W/m×K	882.59	Calculated Property
λ	0.06	W/m×K	941.29	Calculated Property
λ	0.07	W/m×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
λ	[0.14; 0.10]	W/m×K	[280.00; 471.65]	ChemSep v8.3 pure component data
Equation			Y = A + exp(B/T + C + D·T + E·T²) Y is λ in W/m×K, T in K
Coefficient A			-1.86710e-02
Coefficient B			-6.65920e+01
Coefficient C			-9.93130e-01
Coefficient D			-2.13060e-03
Coefficient E			2.09410e-07
Comment			ChemSep eq 16, LiquidThermalConductivity
Temperature range, min.			280.00
Temperature range, max.			471.65
λ	0.14	W/m×K	280.00	Calculated Property
λ	0.14	W/m×K	301.29	Calculated Property
λ	0.14	W/m×K	322.59	Calculated Property
λ	0.13	W/m×K	343.88	Calculated Property
λ	0.13	W/m×K	365.18	Calculated Property
λ	0.12	W/m×K	386.47	Calculated Property
λ	0.12	W/m×K	407.77	Calculated Property
λ	0.11	W/m×K	429.06	Calculated Property
λ	0.11	W/m×K	450.36	Calculated Property
λ	0.10	W/m×K	471.65	Calculated Property

Similar Compounds

Find more compounds similar to 1H-Indene, 1-methyl-.

Sources

• KDB Vapor Pressure Data
• ChemSep v8.3 pure component data Converted from ChemSep v8.3 pure component data, H. Kooijman and R. Taylor (2021, 2022), Artistic License 2.0; see how the values differ.
• Crippen Method
• Crippen Method
• Joback Method
• KDB
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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