Chemical Properties of 1-IODONAPHTHALENE (CAS 90-14-2)

1-IODONAPHTHALENE

InChI
InChI=1S/C10H7I/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H
InChI Key
NHPPIJMARIVBGU-UHFFFAOYSA-N
Formula
C10H7I
SMILES
Ic1cccc2ccccc12
Molecular Weight1
254.07
CAS
90-14-2
Other Names
  • 1-Iodonapthalene
  • 1-Naphthyl iodide
  • Iodonaphthalene
  • naphthalene, 1-iodo-
  • «alpha»-Iodonaphthalene
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Physical Properties

Property Value Unit Source
ω 0.3408 Relay (1.0) Calculated Property
ΔcH°liquid -5096.90 ± 6.30 kJ/mol NIST
ΔfG° 300.87 kJ/mol Joback Calculated Property
ΔfH°gas 234.00 ± 8.80 kJ/mol NIST
ΔfH°liquid 162.00 ± 6.30 kJ/mol NIST
ΔfusH° 16.73 kJ/mol Joback Calculated Property
ΔvapH° [69.90; 72.40] kJ/mol Show Hide
ΔvapH° 69.90 ± 0.30 kJ/mol NIST
ΔvapH° 72.40 ± 5.90 kJ/mol NIST
IE 8.03 eV NIST
log10WS [-4.55; -4.55]   Show Hide
log10WS -4.55 Aq. Solubility Prediction
log10WS -4.55 Estimated Solubility
logPoct/wat 3.444 Crippen Calculated Property
McVol 134.360 ml/mol McGowan Calculated Property
Pc 3722.56 kPa Joback Calculated Property
Inp [1571.90; 1571.90]   Show Hide
Inp 1571.90 NIST
Inp 1571.90 NIST
Tboil 575.20 K NIST
Tc 849.91 K Relay (1.0) Calculated Property
Tfus [277.25; 280.00] K Show Hide
Tfus 277.25 K Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus 280.00 ± 1.00 K NIST
Vc 0.474 m3/kmol Relay (1.0) Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
ΔfusH [15.91; 15.91] kJ/mol [280.00; 280.00] Show Hide
ΔfusH 15.91 kJ/mol 280.00 NIST
ΔfusH 15.91 kJ/mol 280.00 NIST
ΔvapH [70.10; 78.90] kJ/mol [298.15; 374.50] Show Hide
ΔvapH 70.10 kJ/mol 298.15 Enthalpies of Vaporization and Sublimation of the Halogen-Substituted Aromatic Hydrocarbons at 298.15 K: Application of Solution Calorimetry Approach
ΔvapH 78.90 kJ/mol 374.50 NIST

Pressure Dependent Properties

Property Value Unit Pressure (kPa) Source
Tboilr 437.20 K 2.00 NIST

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [138.99; 332.06] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A-4.55600e+01
Coefficient B8.50700e-01
Coefficient C-7.02480e-04
Coefficient D2.29400e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 138.99 J/mol×K 273.00 Calculated Property
Cp,gas 177.63 J/mol×K 353.78 Calculated Property
Cp,gas 210.29 J/mol×K 434.56 Calculated Property
Cp,gas 237.67 J/mol×K 515.33 Calculated Property
Cp,gas 260.52 J/mol×K 596.11 Calculated Property
Cp,gas 279.55 J/mol×K 676.89 Calculated Property
Cp,gas 295.50 J/mol×K 757.67 Calculated Property
Cp,gas 309.08 J/mol×K 838.44 Calculated Property
Cp,gas 321.03 J/mol×K 919.22 Calculated Property
Cp,gas 332.06 J/mol×K 1000.00 Calculated Property
Property Value Unit Temperature (K) Source
η [0.0043870; 0.0003759] Pa×s [278.62; 592.60] Joback Predicted correlation Show Hide
EquationY = exp(A + B/T + C·ln(T) + D·T^E)
Y is η in Pa×s, T in K
Coefficient A-1.00664e+01
Coefficient B1.29206e+03
Coefficient C0.00000e+00
Coefficient D0.00000e+00
Coefficient E0.00000e+00
CommentLiquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.278.62
Temperature range, max.592.60
η 0.0043870 Pa×s 278.62 Calculated Property
η 0.0026186 Pa×s 313.51 Calculated Property
η 0.0017332 Pa×s 348.40 Calculated Property
η 0.0012366 Pa×s 383.28 Calculated Property
η 0.0009335 Pa×s 418.17 Calculated Property
η 0.0007358 Pa×s 453.05 Calculated Property
η 0.0006001 Pa×s 487.94 Calculated Property
η 0.0005029 Pa×s 522.83 Calculated Property
η 0.0004309 Pa×s 557.71 Calculated Property
η 0.0003759 Pa×s 592.60 Calculated Property
Property Value Unit Temperature (K) Source
Pvap [1.33; 202.66] kPa [426.31; 637.74] The Yaws Handbook of Vapor Pressure Show Hide
Equationln(Y) = A + B/(T + C)
Y is Pvap in kPa, T in K
Coefficient A1.28130e+01
Coefficient B-3.95428e+03
Coefficient C-1.10607e+02
Temperature range, min.426.31
Temperature range, max.637.74
Pvap 1.33 kPa 426.31 Calculated Property
Pvap 3.17 kPa 449.80 Calculated Property
Pvap 6.76 kPa 473.29 Calculated Property
Pvap 13.11 kPa 496.79 Calculated Property
Pvap 23.59 kPa 520.28 Calculated Property
Pvap 39.81 kPa 543.77 Calculated Property
Pvap 63.68 kPa 567.26 Calculated Property
Pvap 97.27 kPa 590.76 Calculated Property
Pvap 142.82 kPa 614.25 Calculated Property
Pvap 202.66 kPa 637.74 Calculated Property

Similar Compounds

Naphthalene, 2-iodo-. IODOBENZENE. Naphth-2-yl. Naphthalene-D8. Naphthalene. Benzene, 1,2-diiodo-. Diindeno[1,2,3-cd!1',d',3'-jk]pyrene. Benzene, 1,3-diiodo-. Nonacene. Anthracene-D10-. Heptacene. Naphthacene. Nonahelicene. Heptahelicene. Octahelicene.

Find more compounds similar to 1-IODONAPHTHALENE.

Sources

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