Chemical Properties of [2.2]Paracyclophane (CAS 1633-22-3)

[2.2]Paracyclophane

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InChI
InChI=1S/C16H16/c1-2-14-4-3-13(1)9-10-15-5-7-16(8-6-15)12-11-14/h1-8H,9-12H2
InChI Key
OOLUVSIJOMLOCB-UHFFFAOYSA-N
Formula
C16H16
SMILES
c1cc2ccc1CCc1ccc(cc1)CC2
Molecular Weight1
208.30
CAS
1633-22-3
Other Names
  • Cyclobis(benzene-1,4-dimethylene)
  • Di-1,4-xylylene
  • Di-p-xylylene
  • Tricyclo[8.2.2.2(4,7)]hexadeca-4,6,10,12,13,15-hexaene
  • tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene
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Physical Properties

Property Value Unit Source
Δcsolid [-8737.00; -8727.57] kJ/mol Show Hide
Δcsolid -8729.50 ± 1.80 kJ/mol NIST
Δcsolid -8727.57 ± 0.63 kJ/mol NIST
Δcsolid -8737.00 ± 4.00 kJ/mol NIST
Δf 345.76 kJ/mol Joback Calculated Property
Δfgas [241.00; 244.70] kJ/mol Show Hide
Δfgas 244.70 ± 2.10 kJ/mol NIST
Δfgas 241.00 ± 4.20 kJ/mol NIST
Δfgas 241.30 ± 4.30 kJ/mol NIST
Δfsolid [144.70; 154.00] kJ/mol Show Hide
Δfsolid 146.70 ± 2.80 kJ/mol NIST
Δfsolid 144.70 ± 0.88 kJ/mol NIST
Δfsolid 154.00 ± 4.00 kJ/mol NIST
Δfus 19.46 kJ/mol Joback Calculated Property
Δsub [87.30; 98.00] kJ/mol Show Hide
Δsub 98.00 kJ/mol NIST
Δsub 96.20 ± 4.20 kJ/mol NIST
Δsub 96.30 kJ/mol NIST
Δsub 96.20 ± 4.20 kJ/mol NIST
Δsub 87.30 kJ/mol NIST
Δvap 57.48 kJ/mol Joback Calculated Property
IE [7.60; 8.20] eV Show Hide
IE 7.80 eV NIST
IE 7.80 eV NIST
IE 7.60 eV NIST
IE 7.80 eV NIST
IE 8.20 eV NIST
IE 8.10 eV NIST
IE 8.10 eV NIST
IE 8.00 eV NIST
IE 8.08 eV NIST
log10WS -4.55 Crippen Calculated Property
logPoct/wat 3.570 Crippen Calculated Property
McVol 177.920 ml/mol McGowan Calculated Property
Pc 2673.54 kPa Joback Calculated Property
solid,1 bar 265.68 J/mol×K NIST
Tboil 644.48 K Joback Calculated Property
Tc 901.88 K Joback Calculated Property
Tfus 366.62 K Joback Calculated Property
Vc 0.665 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [456.99; 551.01] J/mol×K [644.48; 901.88] Show Hide
Cp,gas 456.99 J/mol×K 644.48 Joback Calculated Property
Cp,gas 476.19 J/mol×K 687.38 Joback Calculated Property
Cp,gas 493.79 J/mol×K 730.28 Joback Calculated Property
Cp,gas 509.95 J/mol×K 773.18 Joback Calculated Property
Cp,gas 524.78 J/mol×K 816.08 Joback Calculated Property
Cp,gas 538.42 J/mol×K 858.98 Joback Calculated Property
Cp,gas 551.01 J/mol×K 901.88 Joback Calculated Property
Cp,solid [248.10; 252.70] J/mol×K [298.15; 300.00] Show Hide
Cp,solid 252.70 J/mol×K 298.15 NIST
Cp,solid 252.34 J/mol×K 298.15 NIST
Cp,solid 248.10 J/mol×K 300.00 NIST
η [0.0002378; 0.0018114] Pa×s [366.62; 644.48] Show Hide
η 0.0018114 Pa×s 366.62 Joback Calculated Property
η 0.0010682 Pa×s 412.93 Joback Calculated Property
η 0.0007007 Pa×s 459.24 Joback Calculated Property
η 0.0004965 Pa×s 505.55 Joback Calculated Property
η 0.0003728 Pa×s 551.86 Joback Calculated Property
η 0.0002926 Pa×s 598.17 Joback Calculated Property
η 0.0002378 Pa×s 644.48 Joback Calculated Property
ΔfusH 0.21 kJ/mol 323.20 NIST
ΔsubH [92.90; 99.60] kJ/mol [363.00; 381.40] Show Hide
ΔsubH 92.90 ± 0.84 kJ/mol 363.00 NIST
ΔsubH 96.40 ± 1.50 kJ/mol 381.00 NIST
ΔsubH 99.60 ± 1.80 kJ/mol 381.40 NIST

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.68] kPa [475.36; 571.10] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A3.02554e+01
Coefficient B-1.42454e+04
Temperature range, min.475.36
Temperature range, max.571.10
Pvap 1.33 kPa 475.36 Calculated Property
Pvap 2.57 kPa 486.00 Calculated Property
Pvap 4.81 kPa 496.64 Calculated Property
Pvap 8.79 kPa 507.27 Calculated Property
Pvap 15.64 kPa 517.91 Calculated Property
Pvap 27.21 kPa 528.55 Calculated Property
Pvap 46.30 kPa 539.19 Calculated Property
Pvap 77.20 kPa 549.82 Calculated Property
Pvap 126.24 kPa 560.46 Calculated Property
Pvap 202.68 kPa 571.10 Calculated Property

Similar Compounds

Benzene, 1,1'-(1,2-ethanediyl)bis[4-methyl-. Bibenzyl. Acetophenone, 4',4'''-ethylenedi-. 2,2-Metaparacyclophane. Benzene, 1-bromo-4-(2-phenylethyl)-. Ethanone, 1-[4-(2-phenylethyl)phenyl]-. Benzene, 1-fluoro-4-(2-phenylethyl)-. Benzene, 1-iodo-4-(2-phenylethyl)-. (2.2)Metacyclophane. Pentacyclo[10.4.4.4<sup>4,9</sup>.0<sup>6,23</sup>.0<sup>15,19</sup>]tetracosa-4,6,8,12,14,16,17,21,23-decaene. Pentacyclo[11.5.3.34,10.07,23.016,20]tetracosa-1(19)4,6,8,10,(22),13,15,17,20,23-decaene. Benzene, 1,4-diethyl-. Benzene, 1-ethyl-4-methyl-. 1,5-(Ethano[1,4]benzeneoethano)naphthalene. Phenol, 4-(2-phenylethyl)-.

Find more compounds similar to [2.2]Paracyclophane.

Sources

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