Chemical Properties of Bis(cyclopentadienyl)zirconium dichloride (CAS 1291-32-3)

Bis(cyclopentadienyl)zirconium dichloride

InChI
InChI=1S/2C5H5.2ClH.Zr/c2*1-2-4-5-3-1;;;/h2*1-5H;2*1H;/q;;;;+2/p-2
InChI Key
QRUYYSPCOGSZGQ-UHFFFAOYSA-L
Formula
C10H10Cl2Zr
SMILES
[Cl][Zr]12345678([Cl])([CH]9[CH]1[CH]2[CH]3[CH]94)[CH]1[CH]5[CH]6[CH]7[CH]18
Molecular Weight1
292.32
CAS
1291-32-3
Other Names
  • Bis(cyclopentadienyl)dichlorozirconium
  • Bis-«pi»-cyclopentadienyldichlorozirconium
  • Dichlorobis(cyclopentadienyl) zirconium
  • Dichlorobis(«eta»5-2,4-cyclopentadien-1-yl)zirconium
  • Dichlorodi-«pi»-cyclopentadienylzirconium
  • Dichlorodi-«pi»-dicyclopentadienylzirconium
  • Dichlorodicyclopentadienylzirconium
  • Dichlorozirconocene
  • Dicyclopentadienyldichlorozirconium
  • Dicyclopentadienylzirconium dichloride
  • NSC 93930
  • Zirconcene dichloride
  • Zirconium dicyclopentadiene dichloride
  • Zirconium, dichlorobis(2,4-cyclopentadien-1-yl)-
  • Zirconium, dichlorobis(«eta»(5)-2,4-cyclopentadien-1-yl)-
  • Zirconium, dichlorodi-«pi»-cyclopentadienyl-
  • Zirconocene dichloride
  • bis(3-cyclopentadienyl)dichlorozirconium
  • bis(eta-cyclopentadienyl)zirconium chloride
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Physical Properties

Property Value Unit Source
ΔcH°solid -5972.70 ± 2.90 kJ/mol NIST
ΔfH°gas -433.60 ± 3.90 kJ/mol NIST
ΔfH°solid -538.60 ± 3.30 kJ/mol NIST
ΔsubH° [81.20; 108.50] kJ/mol Show Hide
ΔsubH° 103.00 ± 13.00 kJ/mol NIST
ΔsubH° 108.50 ± 4.60 kJ/mol NIST
ΔsubH° 105.00 ± 2.10 kJ/mol NIST
ΔsubH° 81.20 ± 2.10 kJ/mol NIST
ΔsubH° 105.00 ± 2.10 kJ/mol NIST
IE [8.60; 9.37] eV Show Hide
IE 9.37 ± 0.25 eV NIST
IE 8.60 ± 0.10 eV NIST
IE 8.60 ± 0.05 eV NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
ΔsubH 100.30 kJ/mol 425.00 NIST
ΔvapH 71.00 ± 5.00 kJ/mol 409.50 NIST
Pvap [9.20e-05; 9.14e-04] kPa [408.15; 449.15] Show Hide
Pvap 9.20e-05 kPa 408.15 Vapor pressure of tetrakis(1,1,1-trifluro-5,6-dimethylheptanedionato) zirconium(IV) and dichlorobis( 5-cyclopentadienyl)zirconium(IV) by TG-based transpiration technique
Pvap 1.69e-04 kPa 418.15 Vapor pressure of tetrakis(1,1,1-trifluro-5,6-dimethylheptanedionato) zirconium(IV) and dichlorobis( 5-cyclopentadienyl)zirconium(IV) by TG-based transpiration technique
Pvap 3.11e-04 kPa 429.15 Vapor pressure of tetrakis(1,1,1-trifluro-5,6-dimethylheptanedionato) zirconium(IV) and dichlorobis( 5-cyclopentadienyl)zirconium(IV) by TG-based transpiration technique
Pvap 5.47e-04 kPa 438.15 Vapor pressure of tetrakis(1,1,1-trifluro-5,6-dimethylheptanedionato) zirconium(IV) and dichlorobis( 5-cyclopentadienyl)zirconium(IV) by TG-based transpiration technique
Pvap 9.14e-04 kPa 449.15 Vapor pressure of tetrakis(1,1,1-trifluro-5,6-dimethylheptanedionato) zirconium(IV) and dichlorobis( 5-cyclopentadienyl)zirconium(IV) by TG-based transpiration technique

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.66] kPa [510.76; 648.70] The Yaws Handbook of Vapor Pressure Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A2.39147e+01
Coefficient B-1.20678e+04
Temperature range, min.510.76
Temperature range, max.648.70
Pvap 1.33 kPa 510.76 Calculated Property
Pvap 2.65 kPa 526.09 Calculated Property
Pvap 5.08 kPa 541.41 Calculated Property
Pvap 9.38 kPa 556.74 Calculated Property
Pvap 16.77 kPa 572.07 Calculated Property
Pvap 29.08 kPa 587.39 Calculated Property
Pvap 49.03 kPa 602.72 Calculated Property
Pvap 80.55 kPa 618.05 Calculated Property
Pvap 129.20 kPa 633.37 Calculated Property
Pvap 202.66 kPa 648.70 Calculated Property

Similar Compounds

Cytidine, N-methyl-, 2',3',5'-trimethyl ether. Cytosine, 1-alpha-l-rhamnopyranosyl-. Thymidine, 3'-O-cyclotetramethylene-isopropylsilyl. naringin. Thymidine, 3'-O-cyclotetramethylene-tertbutylsilyl, 5'-O-TFA. Thymidine, 3'-O-cyclotetramethylene-isopropylsilyl, 5'-O-TFA. 5-Methyluridine, tris(trifluoroacetate). Thymidine, 3'-O-cyclotetramethylene-tertbutylsilyl. Adenosine 3',5'-cyclic monophosphate. [(3S,4r,5s)-4-acetyloxy-5-(acetyloxymethyl)-2-(2,6-diaminopurin-9-yl)oxolan-3-yl] acetate. Guanosine. Uridine, tris(trifluoroacetate). 2-CHLOROADENOSINE. N6,N6-Dimethyladenosine. Thymidine, 3'-O-cyclotetramethylene-tertbutylsilyl, 5'-O-TBDMS.

Find more compounds similar to Bis(cyclopentadienyl)zirconium dichloride.

Sources

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