Chemical Properties of 9-N-dodecyl-phenanthrene (CAS 3788-61-2)

9-N-dodecyl-phenanthrene

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InChI
InChI=1S/C26H34/c1-2-3-4-5-6-7-8-9-10-11-16-22-21-23-17-12-13-18-24(23)26-20-15-14-19-25(22)26/h12-15,17-21H,2-11,16H2,1H3
InChI Key
QBNLPAPGLLSKBN-UHFFFAOYSA-N
Formula
C26H34
SMILES
CCCCCCCCCCCCc1cc2ccccc2c2ccccc12
Molecular Weight1
346.55
CAS
3788-61-2
Other Names
  • 9-Dodecylphenathrene
  • 9-n-Dodecylphenanthrene
Sources

Physical Properties

Property Value Unit Source
Δf 474.49 kJ/mol Joback Calculated Property
Δfgas 15.76 kJ/mol Joback Calculated Property
Δfus 50.40 kJ/mol Joback Calculated Property
Δvap 80.35 kJ/mol Joback Calculated Property
logPoct/wat 8.46 Crippen Calculated Property
Pc 1170.42 kPa Joback Calculated Property
Tboil 868.88 K Joback Calculated Property
Tc 1081.32 K Joback Calculated Property
Tfus 348.95 ± 0.50 K NIST
Vc 1.23 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 989.60 J/mol×K 868.88 Joback Calculated Property
η 0.00 Pa×s 868.88 Joback Calculated Property
ΔvapH 95.70 kJ/mol 531.5 NIST

Molecular Descriptors

Joback and Reid Groups
=C< (ring) 5
-CH2- 11
-CH3 1
=CH- (ring) 9

Similar Compounds

Chrysene, 6-octyl-. Pyrene, 1-decyl-. Phenanthrene, 9-nonyl-. Perylene, 3-hexyl-. Anthracene, 9-dodecyl-. Naphthalene, 1-pentadecyl-. Naphthalene, 1,1'-(1,10-decanediyl)bis-. Undecane, 1-(1-naphthyl)-. 7-Butylbenz[a]anthracene. Phenanthrene, 9-butyl-. 1-n-butylpyrene. Naphthalene, 1-hexyl-. 1-Pentylnaphthalene. Anthracene, 9-butyl-. 9-n-propylphenanthrene.

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