Chemical Properties of 1-Phenyldodecane (CAS 123-01-3)

1-Phenyldodecane

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InChI
InChI=1S/C18H30/c1-2-3-4-5-6-7-8-9-10-12-15-18-16-13-11-14-17-18/h11,13-14,16-17H,2-10,12,15H2,1H3
InChI Key
KWKXNDCHNDYVRT-UHFFFAOYSA-N
Formula
C18H30
SMILES
CCCCCCCCCCCCc1ccccc1
Molecular Weight1
246.43
CAS
123-01-3
Other Names
  • 1-Dodecylbenzene
  • 1-Phenyldodecane
  • Alkylate P 1
  • Detergent Alkylate No. 2
  • Detergent alkylate
  • Dodecane, 1-phenyl-
  • Dodecylbenzene
  • Laurylbenzene
  • Marlican
  • NSC 102805
  • Nalkylene 500
  • Phenyldodecan
  • Phenyldodecane
  • n-Dodecylbenzene
Sources

Physical Properties

Property Value Unit Source
Δf 213.09 kJ/mol Joback Calculated Property
Δfgas -178.32 kJ/mol Joback Calculated Property
Δfus 36.42 kJ/mol Joback Calculated Property
Δsub 135.10 kJ/mol NIST
Δvap 89.60 kJ/mol NIST
IE 9.10 ± 0.10 eV NIST
logPoct/wat 6.15 Crippen Calculated Property
Pc 1462.37 kPa Joback Calculated Property
Tboil 590.00 ± 5.00 K NIST
Tc 823.44 K Joback Calculated Property
Tfus 270.00 ± 2.00 K NIST
Tfus 266.00 ± 2.00 K NIST
Vc 0.94 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 653.40 J/mol×K 637.92 Joback Calculated Property
η 0.00 Pa×s 637.92 Joback Calculated Property
ΔfusH 43.10 kJ/mol 274.6 NIST
ΔvapH [67.40; 92.00] kJ/mol [275.00; 552.50] Show Hide
ΔvapH 92.00 kJ/mol 275.0 NIST
ΔvapH 83.20 kJ/mol 393.0 NIST
ΔvapH 80.60 kJ/mol 396.0 NIST
ΔvapH 67.40 kJ/mol 552.5 NIST

Molecular Descriptors

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

Similar Compounds

Heptadecylbenzene. Benzene, tetradecyl-. Benzene, decyl-. Pentadecylbenzene. Benzene, octadecyl-. n-Octylbenzene. 11-Phenylheneicosane. 1-Phenyleicosane. Benzene, tridecyl-. Benzene, undecyl-. Benzene, nonyl-. Decane, 1,10-diphenyl-. Benzene, nonadecyl-. Benzene, hexadecyl-. n-Heptylbenzene.

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