Chemical Properties of Indane (CAS 496-11-7)

InChI

InChI=1S/C9H10/c1-2-5-9-7-3-6-8(9)4-1/h1-2,4-5H,3,6-7H2

InChI Key

PQNFLJBBNBOBRQ-UHFFFAOYSA-N

Formula

C9H10

SMILES

c1ccc2c(c1)CCC2

Molecular Weight¹

118.18

CAS

496-11-7

Other Names

• 1,2-Hydrindene
• 1H-Indene, 2,3-dihydro-
• 2,3-DIHYDROINDENE
• 2,3-Dihydro-1H-indene
• Benzocyclopentane
• Hydrindene
• Hydrindonaphthene
• INDAN
• Indene, 2,3-dihydro-
• NSC 5292

• ω : Acentric Factor.
• 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).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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).
• 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).
• n₀ : Refractive Index.
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.3080		KDB
ΔcH°liquid	[-4982.50; -4981.60]	kJ/mol
ΔcH°liquid	-4982.50 ± 1.40	kJ/mol	NIST
ΔcH°liquid	-4981.60 ± 2.00	kJ/mol	NIST
ΔfG°	196.14	kJ/mol	Joback Calculated Property
ΔfH°gas	[59.70; 60.90]	kJ/mol
ΔfH°gas	60.90 ± 2.10	kJ/mol	NIST
ΔfH°gas	60.70 ± 1.50	kJ/mol	NIST
ΔfH°gas	59.70 ± 2.00	kJ/mol	NIST
ΔfH°liquid	[10.70; 11.70]	kJ/mol
ΔfH°liquid	11.70 ± 1.80	kJ/mol	NIST
ΔfH°liquid	11.70 ± 1.50	kJ/mol	NIST
ΔfH°liquid	10.70 ± 2.00	kJ/mol	NIST
ΔfusH°	9.78	kJ/mol	Joback Calculated Property
ΔvapH°	[48.80; 49.20]	kJ/mol
ΔvapH°	48.80	kJ/mol	NIST
ΔvapH°	49.20 ± 1.00	kJ/mol	NIST
ΔvapH°	49.00	kJ/mol	NIST
ΔvapH°	49.03 ± 0.20	kJ/mol	NIST
IE	[8.45; 9.05]	eV
IE	8.60 ± 0.10	eV	NIST
IE	8.60 ± 0.01	eV	NIST
IE	8.52	eV	NIST
IE	Outlier 9.05 ± 0.05	eV	NIST
IE	8.50	eV	NIST
IE	8.46 ± 0.03	eV	NIST
IE	8.45 ± 0.02	eV	NIST
IE	8.46	eV	NIST
log10WS	[-3.04; -3.03]
log10WS	-3.03		Aq. Solubility Prediction
log10WS	-3.04		Estimated Solubility
logPoct/wat	2.175		Crippen Calculated Property
McVol	103.050	ml/mol	McGowan Calculated Property
Pc	[3950.00; 3950.00]	kPa
Pc	3950.00	kPa	KDB
Pc	3950.00 ± 40.00	kPa	NIST
Pc	3950.00 ± 30.00	kPa	NIST
Inp	[165.50; 1066.70]
Inp	1050.80		NIST
Inp	1066.70		NIST
Inp	982.00		NIST
Inp	1059.00		NIST
Inp	1058.00		NIST
Inp	1016.00		NIST
Inp	1012.00		NIST
Inp	1015.70		NIST
Inp	1043.00		NIST
Inp	1052.00		NIST
Inp	1018.00		NIST
Inp	1011.20		NIST
Inp	1014.50		NIST
Inp	1027.40		NIST
Inp	1036.10		NIST
Inp	1046.00		NIST
Inp	1017.00		NIST
Inp	1011.00		NIST
Inp	1011.20		NIST
Inp	1018.00		NIST
Inp	1019.00		NIST
Inp	1011.00		NIST
Inp	1014.00		NIST
Inp	1011.20		NIST
Inp	1014.50		NIST
Inp	1033.00		NIST
Inp	1018.00		NIST
Inp	1011.80		NIST
Inp	1051.00		NIST
Inp	1034.00		NIST
Inp	1013.00		NIST
Inp	1058.00		NIST
Inp	1019.45		NIST
Inp	1022.00		NIST
Inp	1020.00		NIST
Inp	1030.00		NIST
Inp	1024.50		NIST
Inp	1027.40		NIST
Inp	1032.40		NIST
Inp	1035.50		NIST
Inp	1047.80		NIST
Inp	1017.40		NIST
Inp	1027.40		NIST
Inp	1032.40		NIST
Inp	1035.50		NIST
Inp	1015.41		NIST
Inp	1015.61		NIST
Inp	1016.00		NIST
Inp	1028.00		NIST
Inp	1036.00		NIST
Inp	1007.28		NIST
Inp	1013.03		NIST
Inp	1016.71		NIST
Inp	1030.81		NIST
Inp	1036.70		NIST
Inp	1041.08		NIST
Inp	1013.00		NIST
Inp	1039.25		NIST
Inp	1038.00		NIST
Inp	1046.00		NIST
Inp	1027.00		NIST
Inp	1027.00		NIST
Inp	1036.00		NIST
Inp	1036.00		NIST
Inp	1019.00		NIST
Inp	1032.00		NIST
Inp	1026.00		NIST
Inp	1029.00		NIST
Inp	1020.00		NIST
Inp	1023.00		NIST
Inp	1027.00		NIST
Inp	1002.00		NIST
Inp	1033.00		NIST
Inp	1017.00		NIST
Inp	1022.00		NIST
Inp	1029.00		NIST
Inp	1034.00		NIST
Inp	1041.00		NIST
Inp	1048.00		NIST
Inp	1016.00		NIST
Inp	1013.00		NIST
Inp	1013.00		NIST
Inp	1036.00		NIST
Inp	1040.00		NIST
Inp	1014.00		NIST
Inp	1018.00		NIST
Inp	1021.00		NIST
Inp	Outlier 169.04		NIST
Inp	Outlier 169.10		NIST
Inp	Outlier 168.83		NIST
Inp	Outlier 170.21		NIST
Inp	Outlier 168.87		NIST
Inp	Outlier 165.50		NIST
Inp	Outlier 167.82		NIST
Inp	Outlier 168.87		NIST
Inp	Outlier 169.87		NIST
Inp	1034.00		NIST
Inp	1013.00		NIST
Inp	1021.00		NIST
I	[1355.90; 1382.00]
I	1355.90		NIST
I	1382.00		NIST
I	1365.00		NIST
I	1370.00		NIST
I	1356.00		NIST
I	1365.00		NIST
I	1377.00		NIST
I	1355.90		NIST
S°liquid	[234.34; 234.35]	J/mol×K
S°liquid	234.35	J/mol×K	NIST
S°liquid	234.34	J/mol×K	NIST
Tboil	451.12	K	KDB
Tc	[684.90; 684.90]	K
Tc	684.90	K	KDB
Tc	684.90 ± 0.50	K	NIST
Tc	684.90	K	NIST
Tc	684.90 ± 0.40	K	NIST
Tfus	[221.46; 221.95]	K
Tfus	221.70	K	KDB
Tfus	221.95	K	Aq. Solubility Prediction
Tfus	221.46 ± 0.40	K	NIST
Ttriple	[221.77; 221.79]	K
Ttriple	221.79	K	Thermodynamic properties of indan: Experimental and computational results
Ttriple	221.77 ± 0.02	K	NIST
Vc	0.383	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[193.64; 228.37]	J/mol×K	[435.65; 523.15]
Cp,gas	193.64 ± 0.39	J/mol×K	435.65	NIST
Cp,gas	199.15 ± 0.39	J/mol×K	448.15	NIST
Cp,gas	209.22 ± 0.39	J/mol×K	473.15	NIST
Cp,gas	219.20 ± 0.39	J/mol×K	498.15	NIST
Cp,gas	228.37 ± 0.39	J/mol×K	523.15	NIST
Cp,liquid	[190.25; 190.25]	J/mol×K	[298.15; 298.15]
Cp,liquid	190.25	J/mol×K	298.15	NIST
Cp,liquid	190.25	J/mol×K	298.15	NIST
η	[0.0003846; 0.0017430]	Pa×s	[252.31; 448.39]
η	0.0017430	Pa×s	252.31	Joback Calculated Property
η	0.0011727	Pa×s	284.99	Joback Calculated Property
η	0.0008561	Pa×s	317.67	Joback Calculated Property
η	0.0006627	Pa×s	350.35	Joback Calculated Property
η	0.0005359	Pa×s	383.03	Joback Calculated Property
η	0.0004481	Pa×s	415.71	Joback Calculated Property
η	0.0003846	Pa×s	448.39	Joback Calculated Property
ΔfusH	[8.60; 8.60]	kJ/mol	[221.77; 221.80]
ΔfusH	8.60	kJ/mol	221.77	NIST
ΔfusH	8.60	kJ/mol	221.80	NIST
ΔfusH	8.60	kJ/mol	221.80	NIST
ΔvapH	[39.63; 45.00]	kJ/mol	[418.50; 451.00]
ΔvapH	45.00	kJ/mol	418.50	NIST
ΔvapH	44.00	kJ/mol	420.00	NIST
ΔvapH	39.63	kJ/mol	451.00	NIST
n0	1.53580		298.15	KDB
ΔfusS	38.77	J/mol×K	221.77	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.63]	kPa	[329.70; 451.73]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.67689e+01
Coefficient B			-4.58687e+03
Coefficient C			-5.13930e+01
Temperature range, min.			329.70
Temperature range, max.			451.73
Pvap	1.33	kPa	329.70	Calculated Property
Pvap	2.87	kPa	343.26	Calculated Property
Pvap	5.76	kPa	356.82	Calculated Property
Pvap	10.91	kPa	370.38	Calculated Property
Pvap	19.60	kPa	383.94	Calculated Property
Pvap	33.65	kPa	397.49	Calculated Property
Pvap	55.45	kPa	411.05	Calculated Property
Pvap	88.14	kPa	424.61	Calculated Property
Pvap	135.60	kPa	438.17	Calculated Property
Pvap	202.63	kPa	451.73	Calculated Property
Pvap	[1.58e-04; 3939.29]	kPa	[221.74; 684.90]	KDB Vapor Pressure Data
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			8.37734e+01
Coefficient B			-8.59035e+03
Coefficient C			-1.00029e+01
Coefficient D			5.02936e-06
Temperature range, min.			221.74
Temperature range, max.			684.90
Pvap	1.58e-04	kPa	221.74	Calculated Property
Pvap	0.03	kPa	273.20	Calculated Property
Pvap	1.00	kPa	324.66	Calculated Property
Pvap	10.28	kPa	376.13	Calculated Property
Pvap	54.81	kPa	427.59	Calculated Property
Pvap	192.46	kPa	479.05	Calculated Property
Pvap	512.86	kPa	530.51	Calculated Property
Pvap	1134.21	kPa	581.98	Calculated Property
Pvap	2208.10	kPa	633.44	Calculated Property
Pvap	3939.29	kPa	684.90	Calculated Property

Similar Compounds

Find more compounds similar to Indane.

Sources

• KDB Vapor Pressure Data
• Cheméo Relay (1.0)
• Crippen Method
• Thermodynamic properties of indan: Experimental and computational results
• Joback Method
• KDB
• Aqueous Solubility Prediction Method
• Estimated Solubility Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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