Chemical Properties of Phenol, 4,4'-(1-methylethylidene)bis- (CAS 80-05-7)

Phenol, 4,4'-(1-methylethylidene)bis-

InChI
InChI=1S/C15H16O2/c1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12/h3-10,16-17H,1-2H3
InChI Key
IISBACLAFKSPIT-UHFFFAOYSA-N
Formula
C15H16O2
SMILES
CC(C)(c1ccc(O)cc1)c1ccc(O)cc1
Molecular Weight1
228.29
CAS
80-05-7
Other Names
  • 2,2-(4',4''-dihydroxy)diphenylpropane
  • 2,2-(4,4'-Dihydroxydiphenyl)propane
  • 2,2-(4,4-Dihydroxydiphenyl)propane
  • 2,2-Bis (4-hydroxyphenol) propane
  • 2,2-Bis(4'-hydroxyphenyl)propane
  • 2,2-Bis(4,4'-hydroxyphenyl)propane
  • 2,2-Bis(hydroxyphenyl)propane
  • 2,2-Bis(p-hydroxyphenyl)propane
  • 2,2-Bis-4'-hydroxyfenylpropan
  • 2,2-Di(4-hydroxyphenyl)propane
  • 2,2-Di(4-phenylol)propane
  • 2,2-bis(4-hydroxyphenyl)propane
  • 2,2-di-(4'-Hydroxyphenyl)-propane
  • 2,2-di-(4-hydroxyphenyl)propane
  • 4,4'-(1-METHYLETHYLIDENE)BIS-PHENOL
  • 4,4'-(1-methylethylidene)bisphenol
  • 4,4'-(propane-2,2-diyl)diphenol
  • 4,4'-Bisphenol A
  • 4,4'-Dihydroxdiphenylpropane
  • 4,4'-Dihydroxy-2,2-diphenylpropane
  • 4,4'-Dihydroxydiphenyl-2,2-propane
  • 4,4'-Dihydroxydiphenyldimethylmethane
  • 4,4'-Dihydroxydiphenylpropane
  • 4,4'-ISOPROPYLIDENEDI-PHENOL
  • 4,4'-Isopropylidenebis[phenol]
  • 4,4'-Isopropylidenediphenol
  • 4,4-isopropylidenediphenol
  • BPA 157
  • Biphenol A
  • Bis(4-hydroxyphenyl) dimethylmethane
  • Bis(p-hydroxyphenyl)propane
  • Bisferol A
  • Bisphenol
  • Bisphenol A
  • Dian
  • Diano
  • Dimethyl bis(p-hydroxyphenyl)methane
  • Dimethylmethylene-p,p'-diphenol
  • Diphenylolpropane
  • Ipognox 88
  • Isopropylidenebis(4-hydroxybenzene)
  • NCI-C50635
  • Parabis
  • Parabis A
  • Phenol, (1-methylethylidene)bis-
  • Phenol, 4,4'-dimethylmethylenedi-
  • Phenol, 4,4'-isopropylidenedi-
  • Pluracol 245
  • Propane, 2,2-bis(p-hydroxyphenyl)-
  • Rikabanol
  • di-2,2-(4-Hydroxyphenyl)propane
  • p,p'-Bisphenol A
  • p,p'-Dihydroxydiphenyldimethylmethane
  • p,p'-Isopropylidenebisphenol
  • p,p'-Isopropylidenediphenol
  • p,p'-dihydroxydiphenylpropane
  • «beta»,«beta»'-Bis(p-hydroxyphenyl)propane
  • «beta»-di-p-hydroxyphenylpropane
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Physical Properties

Property Value Unit Source
ω 0.9455 ChemSep v8.3 pure component data Compiled value
ΔcH°solid [-7840.00; -7820.70] kJ/mol Show Hide
ΔcH°solid -7840.00 ± 1.70 kJ/mol NIST
ΔcH°solid -7820.70 ± 1.70 kJ/mol NIST
ΔfG° 44.20 kJ/mol ChemSep v8.3 pure component data Compiled value
ΔfH°gas -246.00 kJ/mol ChemSep v8.3 pure component data Compiled value
ΔfH°solid [-368.60; -349.40] kJ/mol Show Hide
ΔfH°solid -349.40 ± 1.70 kJ/mol NIST
ΔfH°solid -368.60 ± 1.80 kJ/mol NIST
ΔfusH° 30.70 kJ/mol Solubility of Bisphenol A in Supercritical Carbon Dioxide
ΔvapH° 117.29 kJ/mol Relay (1.0) Calculated Property
IE 7.88 eV Relay (1.0) Calculated Property
log10WS -2.82 Aq. Solubility Prediction
logPoct/wat 3.424 Crippen Calculated Property
McVol 186.430 ml/mol McGowan Calculated Property
Pc 2937.17 kPa ChemSep v8.3 pure component data Compiled value
Ptriple 7.72e-03 kPa ChemSep v8.3 pure component data Compiled value
Inp [359.41; 2108.00]   Show Hide
Inp 2108.00 NIST
Inp 2108.00 NIST
Inp 2108.00 NIST
Inp 359.41 NIST
Inp 2108.00 NIST
S°solid,1 bar 287.70 J/mol×K NIST
Tboil 633.65 K ChemSep v8.3 pure component data Compiled value
Tc 849.00 K ChemSep v8.3 pure component data Compiled value
Tfus [425.65; 431.00] K Show Hide
Tfus 427.65 K Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus 425.65 K ChemSep v8.3 pure component data Compiled value
Tfus 427.65 K Aq. Solubility Prediction
Tfus 431.00 ± 4.00 K NIST
Ttriple [430.15; 433.00] K Show Hide
Ttriple 430.15 K ChemSep v8.3 pure component data Compiled value
Ttriple 433.00 ± 1.00 K NIST
Ttriple 433.00 ± 1.00 K NIST
UQi 6.50 ChemSep v8.3 pure component data Compiled value
URi 8.79 ChemSep v8.3 pure component data Compiled value
Vc 0.677 m3/kmol ChemSep v8.3 pure component data Compiled value
Zc 0.2810000 ChemSep v8.3 pure component data Compiled value

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,solid 287.72 J/mol×K 298.15 NIST
ΔfusH [30.10; 30.10] kJ/mol [433.00; 433.00] Show Hide
ΔfusH 30.10 kJ/mol 433.00 NIST
ΔfusH 30.10 kJ/mol 433.00 NIST
ΔfusH 30.10 kJ/mol 433.00 NIST
ΔfusH 30.10 kJ/mol 433.00 NIST
ΔvapH 102.20 kJ/mol 550.00 NIST
ΔfusS [69.60; 69.60] J/mol×K [433.00; 433.00] Show Hide
ΔfusS 69.60 J/mol×K 433.00 NIST
ΔfusS 69.60 J/mol×K 433.00 NIST

Pressure Dependent Properties

Property Value Unit Pressure (kPa) Source
Tboilr [493.20; 524.00] K [0.50; 1.70] Show Hide
Tboilr 493.20 K 0.50 NIST
Tboilr 524.00 ± 1.00 K 1.70 NIST

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [248.13; 685.58] J/mol×K [274.00; 1600.15] ChemSep v8.3 pure component data Compiled value Show Hide
EquationY = A + exp(B/T + C + D·T + E·T²)
Y is Cp,gas in J/mol×K, T in K
Coefficient A7.95378e+01
Coefficient B-4.26627e+02
Coefficient C6.68189e+00
Coefficient D1.25840e-05
Coefficient E-1.11192e-08
Temperature range, min.274.00
Temperature range, max.1600.15
Cp,gas 248.13 J/mol×K 274.00 Calculated Property
Cp,gas 370.36 J/mol×K 421.35 Calculated Property
Cp,gas 457.68 J/mol×K 568.70 Calculated Property
Cp,gas 520.69 J/mol×K 716.05 Calculated Property
Cp,gas 567.55 J/mol×K 863.40 Calculated Property
Cp,gas 603.37 J/mol×K 1010.75 Calculated Property
Cp,gas 631.33 J/mol×K 1158.10 Calculated Property
Cp,gas 653.50 J/mol×K 1305.45 Calculated Property
Cp,gas 671.27 J/mol×K 1452.80 Calculated Property
Cp,gas 685.58 J/mol×K 1600.15 Calculated Property
Property Value Unit Temperature (K) Source
Cp,liquid [541.56; 606.44] J/mol×K [455.37; 633.65] ChemSep v8.3 pure component data Compiled value Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,liquid in J/mol×K, T in K
Coefficient A6.45600e+02
Coefficient B-6.54200e-01
Coefficient C9.34900e-04
Coefficient D0.00000e+00
Coefficient E0.00000e+00
Temperature range, min.455.37
Temperature range, max.633.65
Cp,liquid 541.56 J/mol×K 455.37 Calculated Property
Cp,liquid 545.83 J/mol×K 475.18 Calculated Property
Cp,liquid 550.84 J/mol×K 494.99 Calculated Property
Cp,liquid 556.58 J/mol×K 514.80 Calculated Property
Cp,liquid 563.06 J/mol×K 534.61 Calculated Property
Cp,liquid 570.27 J/mol×K 554.41 Calculated Property
Cp,liquid 578.21 J/mol×K 574.22 Calculated Property
Cp,liquid 586.89 J/mol×K 594.03 Calculated Property
Cp,liquid 596.30 J/mol×K 613.84 Calculated Property
Cp,liquid 606.44 J/mol×K 633.65 Calculated Property
Property Value Unit Temperature (K) Source
η [0.0015228; 0.0001717] Pa×s [430.15; 679.20] ChemSep v8.3 pure component data Compiled value Show Hide
EquationY = exp(A + B/T + C·ln(T) + D·T^E)
Y is η in Pa×s, T in K
Coefficient A-2.91150e+02
Coefficient B1.78050e+04
Coefficient C4.07360e+01
Coefficient D-2.03120e-05
Coefficient E2.00000e+00
Temperature range, min.430.15
Temperature range, max.679.20
η 0.0015228 Pa×s 430.15 Calculated Property
η 0.0009601 Pa×s 457.82 Calculated Property
η 0.0006724 Pa×s 485.49 Calculated Property
η 0.0005077 Pa×s 513.17 Calculated Property
η 0.0004042 Pa×s 540.84 Calculated Property
η 0.0003331 Pa×s 568.51 Calculated Property
η 0.0002804 Pa×s 596.18 Calculated Property
η 0.0002384 Pa×s 623.86 Calculated Property
η 0.0002029 Pa×s 651.53 Calculated Property
η 0.0001717 Pa×s 679.20 Calculated Property
Property Value Unit Temperature (K) Source
ΔvapH [123.29; 0.00] kJ/mol [430.15; 849.00] ChemSep v8.3 pure component data Compiled value Show Hide
EquationY = A·(1 − Tr)^(B + C·Tr + D·Tr² + E·Tr³), Tr = T/Tc
Y is ΔvapH in kJ/mol, T in K
Coefficient A1.95490e+02
Coefficient B6.52400e-01
Coefficient C0.00000e+00
Coefficient D0.00000e+00
Coefficient E0.00000e+00
Critical temperature, Tc (K)8.49000e+02
Temperature range, min.430.15
Temperature range, max.849.00
ΔvapH 123.29 kJ/mol 430.15 Calculated Property
ΔvapH 114.17 kJ/mol 476.69 Calculated Property
ΔvapH 104.65 kJ/mol 523.23 Calculated Property
ΔvapH 94.64 kJ/mol 569.77 Calculated Property
ΔvapH 84.02 kJ/mol 616.31 Calculated Property
ΔvapH 72.64 kJ/mol 662.84 Calculated Property
ΔvapH 60.21 kJ/mol 709.38 Calculated Property
ΔvapH 46.21 kJ/mol 755.92 Calculated Property
ΔvapH 29.40 kJ/mol 802.46 Calculated Property
ΔvapH 0.00 kJ/mol 849.00 Calculated Property
Property Value Unit Temperature (K) Source
Pvap [1.33; 202.63] kPa [507.33; 665.02] The Yaws Handbook of Vapor Pressure Show Hide
Equationln(Y) = A + B/(T + C)
Y is Pvap in kPa, T in K
Coefficient A1.44248e+01
Coefficient B-4.04412e+03
Coefficient C-2.21266e+02
Temperature range, min.507.33
Temperature range, max.665.02
Pvap 1.33 kPa 507.33 Calculated Property
Pvap 3.01 kPa 524.85 Calculated Property
Pvap 6.24 kPa 542.37 Calculated Property
Pvap 11.97 kPa 559.89 Calculated Property
Pvap 21.53 kPa 577.41 Calculated Property
Pvap 36.67 kPa 594.94 Calculated Property
Pvap 59.55 kPa 612.46 Calculated Property
Pvap 92.76 kPa 629.98 Calculated Property
Pvap 139.32 kPa 647.50 Calculated Property
Pvap 202.63 kPa 665.02 Calculated Property
Pvap [7.72e-03; 2976.61] kPa [430.15; 849.00] ChemSep v8.3 pure component data Compiled value Show Hide
EquationY = exp(A + B/T + C·ln(T) + D·T^E)
Y is Pvap in kPa, T in K
Coefficient A1.94052e+02
Coefficient B-2.47130e+04
Coefficient C-2.33290e+01
Coefficient D1.03290e-18
Coefficient E6.00000e+00
Temperature range, min.430.15
Temperature range, max.849.00
Pvap 7.72e-03 kPa 430.15 Calculated Property
Pvap 0.19 kPa 476.69 Calculated Property
Pvap 2.23 kPa 523.23 Calculated Property
Pvap 14.67 kPa 569.77 Calculated Property
Pvap 63.48 kPa 616.31 Calculated Property
Pvap 200.10 kPa 662.84 Calculated Property
Pvap 495.60 kPa 709.38 Calculated Property
Pvap 1021.75 kPa 755.92 Calculated Property
Pvap 1834.59 kPa 802.46 Calculated Property
Pvap 2976.61 kPa 849.00 Calculated Property
Pvap [4.93e-03; 3034.89] kPa [426.15; 849.00] KDB Vapor Pressure Data Show Hide
Equationln(Y) = A + B/T + C·ln(T) + D·T² + E/T²
Y is Pvap in kPa, T in K
Coefficient A2.95077e+02
Coefficient B-3.04193e+04
Coefficient C-3.80451e+01
Coefficient D7.42083e-06
Coefficient E0.00000e+00
Temperature range, min.426.15
Temperature range, max.849.00
Pvap 4.93e-03 kPa 426.15 Calculated Property
Pvap 0.15 kPa 473.13 Calculated Property
Pvap 1.94 kPa 520.12 Calculated Property
Pvap 13.42 kPa 567.10 Calculated Property
Pvap 59.43 kPa 614.08 Calculated Property
Pvap 189.64 kPa 661.07 Calculated Property
Pvap 475.17 kPa 708.05 Calculated Property
Pvap 995.15 kPa 755.03 Calculated Property
Pvap 1824.84 kPa 802.02 Calculated Property
Pvap 3034.89 kPa 849.00 Calculated Property
Pvap [0.13; 101.42] kPa [466.00; 633.70] NIST Show Hide
Equationln(Y) = A + B/(T + C)
Y is Pvap in kPa, T in K
Coefficient A2.20979e+01
Coefficient B-1.06361e+04
Coefficient C-2.51790e+01
ReferenceStull, 1947
CommentCoefficents calculated by NIST from author's data.
Temperature range, min.466.00
Temperature range, max.633.70
Pvap 0.13 kPa 466.00 Calculated Property
Pvap 0.35 kPa 484.63 Calculated Property
Pvap 0.86 kPa 503.27 Calculated Property
Pvap 1.98 kPa 521.90 Calculated Property
Pvap 4.30 kPa 540.53 Calculated Property
Pvap 8.84 kPa 559.17 Calculated Property
Pvap 17.31 kPa 577.80 Calculated Property
Pvap 32.43 kPa 596.43 Calculated Property
Pvap 58.39 kPa 615.07 Calculated Property
Pvap 101.42 kPa 633.70 Calculated Property
Property Value Unit Temperature (K) Source
ρl [1059.99; 340.03] kg/m3 [430.15; 849.00] ChemSep v8.3 pure component data Compiled value Show Hide
EquationY = A / B^(1 + (1 − T/C)^D)
Y is ρl in kg/m3, T in K
Coefficient A8.61324e+01
Coefficient B2.53310e-01
Coefficient C8.49000e+02
Coefficient D2.67100e-01
Temperature range, min.430.15
Temperature range, max.849.00
ρl 1059.99 kg/m3 430.15 Calculated Property
ρl 1023.31 kg/m3 476.69 Calculated Property
ρl 984.56 kg/m3 523.23 Calculated Property
ρl 943.23 kg/m3 569.77 Calculated Property
ρl 898.58 kg/m3 616.31 Calculated Property
ρl 849.45 kg/m3 662.84 Calculated Property
ρl 793.83 kg/m3 709.38 Calculated Property
ρl 727.67 kg/m3 755.92 Calculated Property
ρl 639.87 kg/m3 802.46 Calculated Property
ρl 340.03 kg/m3 849.00 Calculated Property
Property Value Unit Temperature (K) Source
γ [0.01; 0.00] N/m [430.15; 849.00] ChemSep v8.3 pure component data Compiled value Show Hide
EquationY = A·(1 − Tr)^(B + C·Tr + D·Tr² + E·Tr³), Tr = T/Tc
Y is γ in N/m, T in K
Coefficient A1.87100e-02
Coefficient B1.15470e+00
Coefficient C0.00000e+00
Coefficient D0.00000e+00
Coefficient E0.00000e+00
Critical temperature, Tc (K)8.49000e+02
Temperature range, min.430.15
Temperature range, max.849.00
γ 0.01 N/m 430.15 Calculated Property
γ 0.01 N/m 476.69 Calculated Property
γ 0.01 N/m 523.23 Calculated Property
γ 0.01 N/m 569.77 Calculated Property
γ 0.00 N/m 616.31 Calculated Property
γ 0.00 N/m 662.84 Calculated Property
γ 0.00 N/m 709.38 Calculated Property
γ 0.00 N/m 755.92 Calculated Property
γ 6.54e-04 N/m 802.46 Calculated Property
γ 0.00 N/m 849.00 Calculated Property
Property Value Unit Temperature (K) Source
λgas [0.03; 0.05] W/m×K [633.65; 1000.00] ChemSep v8.3 pure component data Compiled value Show Hide
EquationY = A·T^B / (1 + C/T + D/T²)
Y is λgas in W/m×K, T in K
Coefficient A2.10600e-04
Coefficient B8.75400e-01
Coefficient C8.05500e+02
Coefficient D0.00000e+00
Temperature range, min.633.65
Temperature range, max.1000.00
λgas 0.03 W/m×K 633.65 Calculated Property
λgas 0.03 W/m×K 674.36 Calculated Property
λgas 0.03 W/m×K 715.06 Calculated Property
λgas 0.03 W/m×K 755.77 Calculated Property
λgas 0.04 W/m×K 796.47 Calculated Property
λgas 0.04 W/m×K 837.18 Calculated Property
λgas 0.04 W/m×K 877.88 Calculated Property
λgas 0.04 W/m×K 918.59 Calculated Property
λgas 0.05 W/m×K 959.29 Calculated Property
λgas 0.05 W/m×K 1000.00 Calculated Property
Property Value Unit Temperature (K) Source
λliquid [0.14; 0.10] W/m×K [430.15; 675.00] ChemSep v8.3 pure component data Compiled value Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is λliquid in W/m×K, T in K
Coefficient A2.30000e-01
Coefficient B-1.98200e-04
Coefficient C0.00000e+00
Coefficient D0.00000e+00
Coefficient E0.00000e+00
Temperature range, min.430.15
Temperature range, max.675.00
λliquid 0.14 W/m×K 430.15 Calculated Property
λliquid 0.14 W/m×K 457.36 Calculated Property
λliquid 0.13 W/m×K 484.56 Calculated Property
λliquid 0.13 W/m×K 511.77 Calculated Property
λliquid 0.12 W/m×K 538.97 Calculated Property
λliquid 0.12 W/m×K 566.18 Calculated Property
λliquid 0.11 W/m×K 593.38 Calculated Property
λliquid 0.11 W/m×K 620.59 Calculated Property
λliquid 0.10 W/m×K 647.79 Calculated Property
λliquid 0.10 W/m×K 675.00 Calculated Property

Similar Compounds

Phenol, 4-(1-methyl-1-phenylethyl)-. 2-(4-Methylphenyl)-2-(4-hydroxyphenyl)propane. 2,2-Bis-(4-cyanatophenyl)propane. Benzene, 1,1'-(1-methylethylidene)bis[4-methoxy-. 4,4',4"-(Ethylidene)trisphenol. 2,2-BIS[(4-TRIMETHYLSILOXY)PHENYL]PROPANE. Phenol, 2-[1-(4-hydroxyphenyl)-1-methylethyl]-. Benzene, 1,1'-(1-methylethylidene)bis-. 2-(.alpha.,.alpha.-dimethylbenzyl) phenol. Phenol, 4,4'-(1-methylethylidene)bis[2-methyl-. Phenol, 4,4'-isopropylidene bis(2-tert-butyl)-. 4,4'-ETHYLIDENEDIPHENOL. Silane, dimethyldi(4-(2-phenylprop-2-yl)phenoxy)-. 2,4-BIS(DIMETHYLBENZYL)PHENOL. 4-(1-Phenylethyl)phenol.

Find more compounds similar to Phenol, 4,4'-(1-methylethylidene)bis-.

Mixtures

Sources

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