Chemical Properties of Di-tert-Butyl ether (CAS 6163-66-2)

Di-tert-Butyl ether

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InChI
InChI=1S/C8H18O/c1-7(2,3)9-8(4,5)6/h1-6H3
InChI Key
AQEFLFZSWDEAIP-UHFFFAOYSA-N
Formula
C8H18O
SMILES
CC(C)(C)OC(C)(C)C
Molecular Weight1
130.23
CAS
6163-66-2
Other Names
  • (tert-C4H9)2O
  • 1,1'-OXYBIS(1,1-DIMETHYLETHANE)
  • 2,2'-OXYBIS-2-METHYL-PROPANE
  • Propane, 2,2'-oxybis[2-methyl-
  • tert-Butyl ether

Physical Properties

Property Value Unit Source
PAff 887.40 kJ/mol NIST
BasG 860.00 kJ/mol NIST
Δcliquid [-5322.10; -5318.30] kJ/mol Show Hide
Δcliquid -5322.10 ± 0.61 kJ/mol NIST
Δcliquid -5320.95 kJ/mol NIST
Δcliquid -5318.30 ± 1.00 kJ/mol NIST
Δf -82.84 kJ/mol Joback Calculated Property
Δfgas [-362.00; -361.10] kJ/mol Show Hide
Δfgas -361.10 ± 0.80 kJ/mol NIST
Δfgas -362.00 ± 1.60 kJ/mol NIST
Δfgas -361.90 ± 1.30 kJ/mol NIST
Δfliquid [-402.00; -398.45] kJ/mol Show Hide
Δfliquid -398.45 ± 0.72 kJ/mol NIST
Δfliquid -399.60 ± 1.20 kJ/mol NIST
Δfliquid -402.00 kJ/mol NIST
Δfus 2.84 kJ/mol Joback Calculated Property
Δvap [37.20; 38.00] kJ/mol Show Hide
Δvap 37.70 ± 0.30 kJ/mol NIST
Δvap 37.20 kJ/mol NIST
Δvap 37.60 ± 0.90 kJ/mol NIST
Δvap 37.60 ± 0.10 kJ/mol NIST
Δvap 38.00 kJ/mol NIST
IE [8.81; 8.94] eV Show Hide
IE 8.88 ± 0.06 eV NIST
IE 8.81 eV NIST
IE 8.94 ± 0.01 eV NIST
log10WS -2.48 Crippen Calculated Property
logPoct/wat 2.600 Crippen Calculated Property
McVol 129.450 ml/mol McGowan Calculated Property
Pc [2420.00; 2425.00] kPa Show Hide
Pc 2420.00 kPa KDB
Pc 2425.00 ± 150.00 kPa NIST
ρc 259.80 ± 11.98 kg/m3 NIST
Tboil [379.90; 380.38] K Show Hide
Tboil 380.38 K KDB
Tboil 379.90 ± 0.80 K NIST
Tc [550.00; 555.00] K Show Hide
Tc 550.00 K KDB
Tc 555.00 ± 2.00 K NIST
Tfus 206.99 K Joback Calculated Property
Vc 0.479 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [260.30; 343.33] J/mol×K [398.40; 584.50] Show Hide
Cp,gas 260.30 J/mol×K 398.40 Joback Calculated Property
Cp,gas 276.06 J/mol×K 429.42 Joback Calculated Property
Cp,gas 291.01 J/mol×K 460.43 Joback Calculated Property
Cp,gas 305.18 J/mol×K 491.45 Joback Calculated Property
Cp,gas 318.61 J/mol×K 522.47 Joback Calculated Property
Cp,gas 331.31 J/mol×K 553.49 Joback Calculated Property
Cp,gas 343.33 J/mol×K 584.50 Joback Calculated Property
Cp,liquid 276.10 J/mol×K 298.15 NIST
η [0.0002653; 0.0127059] Pa×s [206.99; 398.40] Show Hide
η 0.0127059 Pa×s 206.99 Joback Calculated Property
η 0.0043347 Pa×s 238.89 Joback Calculated Property
η 0.0019053 Pa×s 270.79 Joback Calculated Property
η 0.0009959 Pa×s 302.69 Joback Calculated Property
η 0.0005891 Pa×s 334.60 Joback Calculated Property
η 0.0003818 Pa×s 366.50 Joback Calculated Property
η 0.0002653 Pa×s 398.40 Joback Calculated Property
ΔvapH [31.60; 38.70] kJ/mol [329.50; 335.50] Show Hide
ΔvapH 38.70 kJ/mol 329.50 NIST
ΔvapH 37.30 kJ/mol 335.50 NIST
ΔvapH 31.60 kJ/mol 335.50 NIST

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.65] kPa [284.72; 402.69] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.54392e+01
Coefficient B-3.60333e+03
Coefficient C-4.69010e+01
Temperature range, min.284.72
Temperature range, max.402.69
Pvap 1.33 kPa 284.72 Calculated Property
Pvap 2.94 kPa 297.83 Calculated Property
Pvap 6.00 kPa 310.94 Calculated Property
Pvap 11.44 kPa 324.04 Calculated Property
Pvap 20.59 kPa 337.15 Calculated Property
Pvap 35.20 kPa 350.26 Calculated Property
Pvap 57.57 kPa 363.37 Calculated Property
Pvap 90.55 kPa 376.47 Calculated Property
Pvap 137.56 kPa 389.58 Calculated Property
Pvap 202.65 kPa 402.69 Calculated Property

Similar Compounds

Acetic acid, 1,1-dimethylethyl ester. Propane, 2-methyl-2-(1-methylethoxy)-. Propane, 2-methoxy-2-methyl-. Propane, 2-ethoxy-2-methyl-. Formic acid, 1,1-dimethylethyl ester. Propane, 2,2-bis(tert-butyloxy)-. Acetic acid, chloro-, 1,1-dimethylethyl ester. Acetic acid, trifluoro-, 1,1-dimethylethyl ester. Acetic acid, trichloro-, 1,1-dimethylethyl ester. Acetic acid, bromo-, 1,1-dimethylethyl ester. Acetic acid, tribromo, 1,1-dimethylethyl ester. Chloromethyl tert-butyl ether. Acetic acid, dichloro-, 1,1-dimethylethyl ester. Acetic acid, dibromo, 1,1-dimethylethyl ester. (CH3)3CO2.

Find more compounds similar to Di-tert-Butyl ether.

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