Chemical Properties of Indene (CAS 95-13-6)

InChI

InChI=1S/C9H8/c1-2-5-9-7-3-6-8(9)4-1/h1-6H,7H2

InChI Key

YBYIRNPNPLQARY-UHFFFAOYSA-N

Formula

C9H8

SMILES

C1=Cc2ccccc2C1

Molecular Weight¹

116.16

CAS

95-13-6

Other Names

• 1H-indene
• INDEN
• INDONAPHTHENE

• ω : Acentric Factor.
• PAff : Proton affinity (kJ/mol).
• BasG : Gas basicity (kJ/mol).
• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,liquid : Liquid phase heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• EA : Electron affinity (eV).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fH°_liquid : Liquid phase enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization 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).
• n₀ : Refractive Index.
• ρ_l : Liquid Density (kg/m³).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• Δ_fusS : Entropy of fusion at a given temperature (J/mol×K).
• S°_liquid : Liquid phase molar entropy at standard conditions (J/mol×K).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• T_triple : Triple Point Temperature (K).
• V_c : Critical Volume (m³/kmol).
• Z_c : Critical Compressibility.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.2620		KDB
PAff	[848.50; 848.80]	kJ/mol
PAff	848.80	kJ/mol	NIST
PAff	848.50	kJ/mol	NIST
BasG	[819.20; 819.60]	kJ/mol
BasG	819.60	kJ/mol	NIST
BasG	819.20	kJ/mol	NIST
ΔcH°liquid	-4795.50 ± 1.30	kJ/mol	NIST
EA	0.17 ± 0.03	eV	NIST
ΔfH°gas	161.20 ± 2.30	kJ/mol	NIST
ΔfH°liquid	[110.00; 110.60]	kJ/mol
ΔfH°liquid	110.60 ± 1.80	kJ/mol	NIST
ΔfH°liquid	110.00 ± 1.00	kJ/mol	NIST
ΔfusH°	11.00	kJ/mol	Joback Calculated Property
ΔvapH°	50.60 ± 1.50	kJ/mol	NIST
IE	[8.13; 8.62]	eV
IE	8.14 ± 0.01	eV	NIST
IE	8.33 ± 0.01	eV	NIST
IE	8.14 ± 0.01	eV	NIST
IE	Outlier 8.62	eV	NIST
IE	8.13 ± 0.05	eV	NIST
IE	8.15 ± 0.01	eV	NIST
logPoct/wat	2.256		Crippen Calculated Property
McVol	98.750	ml/mol	McGowan Calculated Property
Pc	3800.00	kPa	KDB
Inp	[168.80; 1072.50]
Inp	1059.00		NIST
Inp	1052.00		NIST
Inp	1059.00		NIST
Inp	1036.00		NIST
Inp	1015.00		NIST
Inp	1016.00		NIST
Inp	1034.00		NIST
Inp	1034.00		NIST
Inp	1031.00		NIST
Inp	1034.00		NIST
Inp	1031.00		NIST
Inp	1035.00		NIST
Inp	1026.00		NIST
Inp	1018.00		NIST
Inp	1013.00		NIST
Inp	1023.30		NIST
Inp	1059.00		NIST
Inp	1049.00		NIST
Inp	1059.00		NIST
Inp	1023.00		NIST
Inp	1011.80		NIST
Inp	1015.70		NIST
Inp	1034.10		NIST
Inp	1043.30		NIST
Inp	1053.80		NIST
Inp	1021.00		NIST
Inp	1011.80		NIST
Inp	1015.70		NIST
Inp	1016.90		NIST
Inp	1016.90		NIST
Inp	1017.00		NIST
Inp	1017.50		NIST
Inp	1060.00		NIST
Inp	1030.00		NIST
Inp	1062.00		NIST
Inp	1026.00		NIST
Inp	1037.00		NIST
Inp	1072.50		NIST
Inp	1069.00		NIST
Inp	1041.00		NIST
Inp	1045.00		NIST
Inp	1054.00		NIST
Inp	1011.00		NIST
Inp	1014.00		NIST
Inp	1036.00		NIST
Inp	1033.00		NIST
Inp	1051.00		NIST
Inp	1049.00		NIST
Inp	1039.00		NIST
Inp	1025.00		NIST
Inp	1024.00		NIST
Inp	1025.00		NIST
Inp	1042.00		NIST
Inp	1036.00		NIST
Inp	1060.00		NIST
Inp	1060.00		NIST
Inp	1041.00		NIST
Inp	1059.00		NIST
Inp	1031.00		NIST
Inp	1037.00		NIST
Inp	1020.00		NIST
Inp	1042.00		NIST
Inp	1045.00		NIST
Inp	1017.00		NIST
Inp	1059.00		NIST
Inp	1062.00		NIST
Inp	Outlier 171.05		NIST
Inp	Outlier 173.26		NIST
Inp	Outlier 172.05		NIST
Inp	Outlier 172.51		NIST
Inp	Outlier 170.83		NIST
Inp	Outlier 169.00		NIST
Inp	Outlier 168.80		NIST
Inp	Outlier 170.08		NIST
Inp	1026.00		NIST
Inp	1045.00		NIST
Inp	1059.00		NIST
Inp	1016.00		NIST
Inp	1031.00		NIST
Inp	1023.30		NIST
Inp	1011.80		NIST
Inp	1021.00		NIST
Inp	1017.00		NIST
Inp	1030.00		NIST
Inp	1060.00		NIST
Inp	1054.00		NIST
Inp	1037.00		NIST
Inp	Outlier 169.00		NIST
Inp	Outlier 171.05		NIST
I	[1430.80; 1479.00]
I	1455.80		NIST
I	1430.80		NIST
I	1431.00		NIST
I	1471.00		NIST
I	1466.00		NIST
I	1472.00		NIST
I	1467.00		NIST
I	1479.00		NIST
I	1467.00		NIST
I	1431.00		NIST
S°liquid	[214.18; 215.35]	J/mol×K
S°liquid	214.18	J/mol×K	NIST
S°liquid	215.35	J/mol×K	NIST
Tboil	[450.00; 455.80]	K
Tboil	455.59	K	KDB
Tboil	454.80	K	NIST
Tboil	455.80	K	NIST
Tboil	455.45 ± 0.50	K	NIST
Tboil	455.72 ± 0.15	K	NIST
Tboil	455.59 ± 0.30	K	NIST
Tboil	455.75 ± 0.30	K	NIST
Tboil	455.60 ± 0.50	K	NIST
Tboil	453.20 ± 1.50	K	NIST
Tboil	450.90 ± 1.50	K	NIST
Tboil	454.00 ± 1.00	K	NIST
Tboil	Outlier 450.00 ± 3.00	K	NIST
Tc	695.15	K	KDB
Tfus	[270.48; 271.40]	K
Tfus	271.00	K	KDB
Tfus	271.40 ± 0.50	K	NIST
Tfus	270.48 ± 0.30	K	NIST
Ttriple	[271.70; 271.70]	K
Ttriple	271.70 ± 0.02	K	NIST
Ttriple	271.70 ± 0.02	K	NIST
Vc	0.368	m3/kmol	KDB
Zc	0.2422730		KDB

Cheméo can also estimate Standard Gibbs free energy of formation, 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,liquid	[181.00; 211.00]	J/mol×K	[280.00; 370.00]
Cp,liquid	181.00	J/mol×K	280.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid	184.00	J/mol×K	290.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid	186.94	J/mol×K	298.15	NIST
Cp,liquid	187.00	J/mol×K	298.15	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid	186.94	J/mol×K	298.15	NIST
Cp,liquid	188.00	J/mol×K	300.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid	191.00	J/mol×K	310.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid	194.00	J/mol×K	320.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid	198.00	J/mol×K	330.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid	201.00	J/mol×K	340.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid	205.00	J/mol×K	350.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid	208.00	J/mol×K	360.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid	211.00	J/mol×K	370.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
ΔfusH	[10.20; 10.20]	kJ/mol	[271.70; 271.70]
ΔfusH	10.20	kJ/mol	271.70	NIST
ΔfusH	10.20	kJ/mol	271.70	NIST
ΔfusH	10.20	kJ/mol	271.70	NIST
ΔvapH	[43.60; 45.30]	kJ/mol	[372.00; 413.00]
ΔvapH	43.60	kJ/mol	372.00	NIST
ΔvapH	43.90	kJ/mol	391.50	NIST
ΔvapH	45.30	kJ/mol	413.00	NIST
n0	1.57370		298.15	KDB
ρl	998.99	kg/m3	293.10	KDB
ΔfusS	37.55	J/mol×K	271.70	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[109.52; 303.86]	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			-7.33000e+01
Coefficient B			8.41800e-01
Coefficient C			-6.92840e-04
Coefficient D			2.28200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	109.52	J/mol×K	273.00	Calculated Property
Cp,gas	147.90	J/mol×K	353.78	Calculated Property
Cp,gas	180.40	J/mol×K	434.56	Calculated Property
Cp,gas	207.74	J/mol×K	515.33	Calculated Property
Cp,gas	230.65	J/mol×K	596.11	Calculated Property
Cp,gas	249.83	J/mol×K	676.89	Calculated Property
Cp,gas	266.03	J/mol×K	757.67	Calculated Property
Cp,gas	279.95	J/mol×K	838.44	Calculated Property
Cp,gas	292.32	J/mol×K	919.22	Calculated Property
Cp,gas	303.86	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0011493; 0.0003229]	Pa×s	[270.96; 486.60]	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			-9.63301e+00
Coefficient B			7.76130e+02
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			270.96
Temperature range, max.			486.60
η	0.0011493	Pa×s	270.96	Calculated Property
η	0.0009107	Pa×s	294.92	Calculated Property
η	0.0007473	Pa×s	318.88	Calculated Property
η	0.0006304	Pa×s	342.84	Calculated Property
η	0.0005437	Pa×s	366.80	Calculated Property
η	0.0004776	Pa×s	390.76	Calculated Property
η	0.0004258	Pa×s	414.72	Calculated Property
η	0.0003844	Pa×s	438.68	Calculated Property
η	0.0003508	Pa×s	462.64	Calculated Property
η	0.0003229	Pa×s	486.60	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[335.62; 481.24]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.67872e+01
Coefficient B			-5.48854e+03
Coefficient C			-2.97000e+00
Temperature range, min.			335.62
Temperature range, max.			481.24
Pvap	1.33	kPa	335.62	Calculated Property
Pvap	2.87	kPa	351.80	Calculated Property
Pvap	5.76	kPa	367.98	Calculated Property
Pvap	10.90	kPa	384.16	Calculated Property
Pvap	19.59	kPa	400.34	Calculated Property
Pvap	33.63	kPa	416.52	Calculated Property
Pvap	55.43	kPa	432.70	Calculated Property
Pvap	88.11	kPa	448.88	Calculated Property
Pvap	135.58	kPa	465.06	Calculated Property
Pvap	202.64	kPa	481.24	Calculated Property
Pvap	[0.02; 4302.94]	kPa	[271.70; 693.15]	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			1.22605e+02
Coefficient B			-1.05135e+04
Coefficient C			-1.58068e+01
Coefficient D			9.00394e-06
Coefficient E			0.00000e+00
Temperature range, min.			271.70
Temperature range, max.			693.15
Pvap	0.02	kPa	271.70	Calculated Property
Pvap	0.55	kPa	318.53	Calculated Property
Pvap	5.79	kPa	365.36	Calculated Property
Pvap	31.43	kPa	412.18	Calculated Property
Pvap	111.75	kPa	459.01	Calculated Property
Pvap	301.25	kPa	505.84	Calculated Property
Pvap	675.75	kPa	552.67	Calculated Property
Pvap	1342.06	kPa	599.49	Calculated Property
Pvap	2462.68	kPa	646.32	Calculated Property
Pvap	4302.94	kPa	693.15	Calculated Property
Pvap	[0.14; 101.54]	kPa	[289.60; 454.80]	NIST
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.68898e+01
Coefficient B			-5.78283e+03
Coefficient C			1.65240e+01
Reference			Stull, 1947
Temperature range, min.			289.60
Temperature range, max.			454.80
Pvap	0.14	kPa	289.60	Calculated Property
Pvap	0.39	kPa	307.96	Calculated Property
Pvap	1.02	kPa	326.31	Calculated Property
Pvap	2.41	kPa	344.67	Calculated Property
Pvap	5.23	kPa	363.02	Calculated Property
Pvap	10.55	kPa	381.38	Calculated Property
Pvap	20.03	kPa	399.73	Calculated Property
Pvap	36.02	kPa	418.09	Calculated Property
Pvap	61.76	kPa	436.44	Calculated Property
Pvap	101.54	kPa	454.80	Calculated Property

Similar Compounds

Find more compounds similar to Indene.

Mixtures

• Indene + Water

Sources

• KDB Vapor Pressure Data
• Crippen Method
• Crippen Method
• Liquid-Liquid Equilibrium Measurements for Model Systems Related to Catalytic Fast Pyrolysis of Biomass
• Determination of Partitioning Coefficients of Numerous Organic Solutes between a Long-Chain Aliphatic Alcohol and the Gas Phase as a Function of Temperature
• Joback Method
• KDB
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure
• Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD

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