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

Indene

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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
Sources

Physical Properties

Property Value Unit Source
PAff 848.80 kJ/mol NIST
PAff 848.50 kJ/mol NIST
BasG 819.60 kJ/mol NIST
BasG 819.20 kJ/mol NIST
Δcliquid -4795.50 ± 1.30 kJ/mol NIST
EA 0.17 ± 0.03 eV NIST
Δf 226.10 kJ/mol Joback Calculated Property
Δfgas 161.20 ± 2.30 kJ/mol NIST
Δfliquid 110.60 ± 1.80 kJ/mol NIST
Δfliquid 110.00 ± 1.00 kJ/mol NIST
Δfus 11.00 kJ/mol Joback Calculated Property
Δvap 50.60 ± 1.50 kJ/mol NIST
IE [8.13; 8.62] eV Show Hide
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
Pc 4072.51 kPa Joback Calculated Property
liquid 214.18 J/mol×K NIST
liquid 215.35 J/mol×K NIST
Tboil [450.00; 455.80] K Show Hide
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 677.06 K Joback Calculated Property
Tfus 271.40 ± 0.50 K NIST
Tfus 270.48 ± 0.30 K NIST
Ttriple 271.70 ± 0.02 K NIST
Vc 0.376 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 185.13 J/mol×K 447.55 Joback Calculated Property
Cp,liquid 186.94 J/mol×K 298.15 NIST
Cp,liquid 186.94 J/mol×K 298.15 NIST
η 0.0003709 Pa×s 447.55 Joback Calculated Property
ΔfusH 10.20 kJ/mol 271.7 NIST
ΔfusH 10.20 kJ/mol 271.7 NIST
ΔfusH 10.20 kJ/mol 271.7 NIST
ΔvapH 43.60 kJ/mol 372.0 NIST
ΔvapH 43.90 kJ/mol 391.5 NIST
ΔvapH 45.30 kJ/mol 413.0 NIST
ΔfusS 37.55 J/mol×K 271.7 NIST

Molecular Descriptors

Joback and Reid Groups
=C< (ring) 2
-CH2- (ring) 1
=CH- (ring) 6

Similar Compounds

5-ethylindene. 4-Methylindene. 1H-Benz[f]indene. 2-Methylindene. 1H-Cyclopent[b]anthracene. 1H-Indene, 3-methyl-. 8H-Cyclopenta[b]phenanthrene. 1H-indene, 1-methylene-. 1H-Indene, 1-methyl-. o-Ethylvinylbenzene. 1,3-diphenyl-1-propene. 1H-Indene, 4,7-dimethyl-. 3H-Benz[e]indene. 1H-Benz[e]indene. 3,4-Benzotropilidene.

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.