Chemical Properties of Phenol, 4-(1-methyl-1-phenylethyl)- (CAS 599-64-4)

Phenol, 4-(1-methyl-1-phenylethyl)-

InChI
InChI=1S/C15H16O/c1-15(2,12-6-4-3-5-7-12)13-8-10-14(16)11-9-13/h3-11,16H,1-2H3
InChI Key
QBDSZLJBMIMQRS-UHFFFAOYSA-N
Formula
C15H16O
SMILES
CC(C)(c1ccccc1)c1ccc(O)cc1
Molecular Weight1
212.29
CAS
599-64-4
Other Names
  • 2-Phenyl-2-(4-hydroxyphenyl)propane
  • 2-Phenyl-2-(p-hydroxyphenyl)propane
  • 4-(1-Methyl-1-phenylethyl)phenol
  • 4-(2-Phenylisopropyl) phenol
  • 4-(ALPHA,ALPHA-DIMETHYLBENZYL)PHENOL
  • 4-(Dimethylphenylmethyl)phenol
  • 4-(«alpha»,«alpha»-Dimethylbenzyl)phenol
  • 4-Cumylphenol
  • 4-Hydroxydiphenyldimethylmethane
  • NSC 6237
  • P-ALPHA-CUMYLPHENOL
  • Phenol, 4-(1-methyl-1-phenethyl)-
  • Phenol, p-(«alpha»,«alpha»-dimethylbenzyl)-
  • p-(«alpha»,«alpha»-Dimethylbenzyl)phenol
  • p-(«alpha»-Cumyl)phenol
  • p-Cumylphenol
  • p-Hydroxy-2,2-diphenylpropane
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry. Do not hesitate to contact us for your projects.

Physical Properties

Property Value Unit Source
ω 0.6888 ChemSep v8.3 pure component data
μ 1.33 debye ChemSep v8.3 pure component data
ΔfG° 146.20 kJ/mol ChemSep v8.3 pure component data
ΔfH°gas -64.53 kJ/mol ChemSep v8.3 pure component data
ΔfusH° 21.06 kJ/mol Joback Calculated Property
ΔvapH° 94.57 kJ/mol Relay (1.0) Calculated Property
IE 8.03 eV Relay (1.0) Calculated Property
log10WS -3.68 Relay (1.0) Calculated Property
logPoct/wat 3.718 Crippen Calculated Property
McVol 180.560 ml/mol McGowan Calculated Property
Pc 2680.00 kPa ChemSep v8.3 pure component data
Ptriple 1.14e-03 kPa ChemSep v8.3 pure component data
Inp 1860.00 NIST
Tboil [608.15; 608.20] K Show Hide
Tboil 608.15 K ChemSep v8.3 pure component data
Tboil 608.20 K NIST
Tc 834.00 K ChemSep v8.3 pure component data
Tfus [346.00; 346.40] K Show Hide
Tfus 346.00 K ChemSep v8.3 pure component data
Tfus 346.40 ± 0.05 K NIST
Ttriple 346.30 K ChemSep v8.3 pure component data
UQi 6.22 ChemSep v8.3 pure component data
URi 8.43 ChemSep v8.3 pure component data
Vc 0.659 m3/kmol ChemSep v8.3 pure component data
Zc 0.2900000 ChemSep v8.3 pure component data

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
ΔfusH [21.68; 22.80] kJ/mol [346.20; 346.40] Show Hide
ΔfusH 22.80 kJ/mol 346.20 NIST
ΔfusH 21.68 kJ/mol 346.40 NIST
ΔfusH 21.68 kJ/mol 346.40 NIST

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [220.31; 671.63] J/mol×K [255.00; 1500.00] ChemSep v8.3 pure component data Show Hide
EquationY = A + exp(B/T + C + D·T + E·T²)
Y is Cp,gas in J/mol×K, T in K
Coefficient A1.18511e+02
Coefficient B-5.20000e+02
Coefficient C6.66224e+00
Coefficient D0.00000e+00
Coefficient E0.00000e+00
CommentChemSep eq 16, IdealGasHeatCapacityCp
Temperature range, min.255.00
Temperature range, max.1500.00
Cp,gas 220.31 J/mol×K 255.00 Calculated Property
Cp,gas 327.07 J/mol×K 393.33 Calculated Property
Cp,gas 412.69 J/mol×K 531.67 Calculated Property
Cp,gas 478.52 J/mol×K 670.00 Calculated Property
Cp,gas 529.66 J/mol×K 808.33 Calculated Property
Cp,gas 570.18 J/mol×K 946.67 Calculated Property
Cp,gas 602.95 J/mol×K 1085.00 Calculated Property
Cp,gas 629.92 J/mol×K 1223.33 Calculated Property
Cp,gas 652.49 J/mol×K 1361.67 Calculated Property
Cp,gas 671.63 J/mol×K 1500.00 Calculated Property
Property Value Unit Temperature (K) Source
Cp,liquid [436.28; 543.81] J/mol×K [346.30; 600.00] ChemSep v8.3 pure component data Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,liquid in J/mol×K, T in K
Coefficient A2.89510e+02
Coefficient B4.23830e-01
Coefficient C0.00000e+00
Coefficient D0.00000e+00
Coefficient E0.00000e+00
CommentChemSep eq 100, LiquidHeatCapacityCp
Temperature range, min.346.30
Temperature range, max.600.00
Cp,liquid 436.28 J/mol×K 346.30 Calculated Property
Cp,liquid 448.23 J/mol×K 374.49 Calculated Property
Cp,liquid 460.18 J/mol×K 402.68 Calculated Property
Cp,liquid 472.12 J/mol×K 430.87 Calculated Property
Cp,liquid 484.07 J/mol×K 459.06 Calculated Property
Cp,liquid 496.02 J/mol×K 487.24 Calculated Property
Cp,liquid 507.97 J/mol×K 515.43 Calculated Property
Cp,liquid 519.91 J/mol×K 543.62 Calculated Property
Cp,liquid 531.86 J/mol×K 571.81 Calculated Property
Cp,liquid 543.81 J/mol×K 600.00 Calculated Property
Property Value Unit Temperature (K) Source
η [0.0020239; 0.0001313] Pa×s [346.30; 667.20] ChemSep v8.3 pure component data Show Hide
EquationY = exp(A + B/T + C·ln(T) + D·T^E)
Y is η in Pa×s, T in K
Coefficient A-1.18900e+01
Coefficient B1.96950e+03
Coefficient C0.00000e+00
Coefficient D0.00000e+00
Coefficient E0.00000e+00
CommentChemSep eq 101, LiquidViscosity
Temperature range, min.346.30
Temperature range, max.667.20
η 0.0020239 Pa×s 346.30 Calculated Property
η 0.0011902 Pa×s 381.96 Calculated Property
η 0.0007663 Pa×s 417.61 Calculated Property
η 0.0005288 Pa×s 453.27 Calculated Property
η 0.0003852 Pa×s 488.92 Calculated Property
η 0.0002929 Pa×s 524.58 Calculated Property
η 0.0002307 Pa×s 560.23 Calculated Property
η 0.0001869 Pa×s 595.89 Calculated Property
η 0.0001551 Pa×s 631.54 Calculated Property
η 0.0001313 Pa×s 667.20 Calculated Property
Property Value Unit Temperature (K) Source
ΔvapH [83.24; 0.00] kJ/mol [346.30; 834.00] ChemSep v8.3 pure component data 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 A1.02030e+02
Coefficient B3.79310e-01
Coefficient C0.00000e+00
Coefficient D0.00000e+00
Coefficient E0.00000e+00
Critical temperature, Tc (K)8.34000e+02
CommentChemSep eq 106, HeatOfVaporization
Temperature range, min.346.30
Temperature range, max.834.00
ΔvapH 83.24 kJ/mol 346.30 Calculated Property
ΔvapH 79.61 kJ/mol 400.49 Calculated Property
ΔvapH 75.67 kJ/mol 454.68 Calculated Property
ΔvapH 71.38 kJ/mol 508.87 Calculated Property
ΔvapH 66.61 kJ/mol 563.06 Calculated Property
ΔvapH 61.20 kJ/mol 617.24 Calculated Property
ΔvapH 54.87 kJ/mol 671.43 Calculated Property
ΔvapH 47.05 kJ/mol 725.62 Calculated Property
ΔvapH 36.17 kJ/mol 779.81 Calculated Property
ΔvapH 0.00 kJ/mol 834.00 Calculated Property
Property Value Unit Temperature (K) Source
Pvap [1.33; 202.66] kPa [460.77; 643.60] The Yaws Handbook of Vapor Pressure Show Hide
Equationln(Y) = A + B/(T + C)
Y is Pvap in kPa, T in K
Coefficient A1.53045e+01
Coefficient B-5.46100e+03
Coefficient C-9.71150e+01
Temperature range, min.460.77
Temperature range, max.643.60
Pvap 1.33 kPa 460.77 Calculated Property
Pvap 2.95 kPa 481.08 Calculated Property
Pvap 6.03 kPa 501.40 Calculated Property
Pvap 11.51 kPa 521.71 Calculated Property
Pvap 20.70 kPa 542.03 Calculated Property
Pvap 35.38 kPa 562.34 Calculated Property
Pvap 57.82 kPa 582.66 Calculated Property
Pvap 90.83 kPa 602.97 Calculated Property
Pvap 137.79 kPa 623.29 Calculated Property
Pvap 202.66 kPa 643.60 Calculated Property
Pvap [1.14e-03; 2860.29] kPa [346.30; 834.00] ChemSep v8.3 pure component data Show Hide
EquationY = exp(A + B/T + C·ln(T) + D·T^E)
Y is Pvap in kPa, T in K
Coefficient A1.32642e+02
Coefficient B-1.55630e+04
Coefficient C-1.62550e+01
Coefficient D4.76170e-06
Coefficient E2.00000e+00
CommentChemSep eq 101, VaporPressure
Temperature range, min.346.30
Temperature range, max.834.00
Pvap 1.14e-03 kPa 346.30 Calculated Property
Pvap 0.06 kPa 400.49 Calculated Property
Pvap 0.93 kPa 454.68 Calculated Property
Pvap 7.30 kPa 508.87 Calculated Property
Pvap 35.25 kPa 563.06 Calculated Property
Pvap 121.52 kPa 617.24 Calculated Property
Pvap 330.17 kPa 671.43 Calculated Property
Pvap 757.06 kPa 725.62 Calculated Property
Pvap 1536.98 kPa 779.81 Calculated Property
Pvap 2860.29 kPa 834.00 Calculated Property
Pvap [1.29e-03; 2612.27] kPa [346.00; 834.00] 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 A1.07084e+02
Coefficient B-1.41369e+04
Coefficient C-1.25239e+01
Coefficient D2.83679e-06
Coefficient E0.00000e+00
Temperature range, min.346.00
Temperature range, max.834.00
Pvap 1.29e-03 kPa 346.00 Calculated Property
Pvap 0.06 kPa 400.22 Calculated Property
Pvap 0.93 kPa 454.44 Calculated Property
Pvap 7.24 kPa 508.67 Calculated Property
Pvap 34.93 kPa 562.89 Calculated Property
Pvap 120.26 kPa 617.11 Calculated Property
Pvap 324.86 kPa 671.33 Calculated Property
Pvap 734.51 kPa 725.56 Calculated Property
Pvap 1455.32 kPa 779.78 Calculated Property
Pvap 2612.27 kPa 834.00 Calculated Property
Property Value Unit Temperature (K) Source
ρl [1045.87; 301.98] kg/m3 [346.30; 834.00] ChemSep v8.3 pure component data Show Hide
EquationY = A / B^(1 + (1 − T/C)^D)
Y is ρl in kg/m3, T in K
Coefficient A7.15641e+01
Coefficient B2.36980e-01
Coefficient C8.34000e+02
Coefficient D2.75070e-01
CommentChemSep eq 105, LiquidDensity
Temperature range, min.346.30
Temperature range, max.834.00
ρl 1045.87 kg/m3 346.30 Calculated Property
ρl 1005.26 kg/m3 400.49 Calculated Property
ρl 962.59 kg/m3 454.68 Calculated Property
ρl 917.36 kg/m3 508.87 Calculated Property
ρl 868.83 kg/m3 563.06 Calculated Property
ρl 815.85 kg/m3 617.24 Calculated Property
ρl 756.44 kg/m3 671.43 Calculated Property
ρl 686.57 kg/m3 725.62 Calculated Property
ρl 595.34 kg/m3 779.81 Calculated Property
ρl 301.98 kg/m3 834.00 Calculated Property
Property Value Unit Temperature (K) Source
γ [0.04; 0.00] N/m [346.30; 834.00] ChemSep v8.3 pure component data 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 A7.97290e-02
Coefficient B1.25670e+00
Coefficient C0.00000e+00
Coefficient D0.00000e+00
Coefficient E0.00000e+00
Critical temperature, Tc (K)8.34000e+02
CommentChemSep eq 106, SurfaceTension
Temperature range, min.346.30
Temperature range, max.834.00
γ 0.04 N/m 346.30 Calculated Property
γ 0.04 N/m 400.49 Calculated Property
γ 0.03 N/m 454.68 Calculated Property
γ 0.02 N/m 508.87 Calculated Property
γ 0.02 N/m 563.06 Calculated Property
γ 0.01 N/m 617.24 Calculated Property
γ 0.01 N/m 671.43 Calculated Property
γ 0.01 N/m 725.62 Calculated Property
γ 0.00 N/m 779.81 Calculated Property
γ 0.00 N/m 834.00 Calculated Property
Property Value Unit Temperature (K) Source
λ [0.03; 0.05] W/m×K [608.15; 1000.00] ChemSep v8.3 pure component data Show Hide
EquationY = A·T^B / (1 + C/T + D/T²)
Y is λ in W/m×K, T in K
Coefficient A1.60800e-04
Coefficient B9.23100e-01
Coefficient C7.93000e+02
Coefficient D0.00000e+00
CommentChemSep eq 102, VaporThermalConductivity
Temperature range, min.608.15
Temperature range, max.1000.00
λ 0.03 W/m×K 608.15 Calculated Property
λ 0.03 W/m×K 651.69 Calculated Property
λ 0.03 W/m×K 695.23 Calculated Property
λ 0.03 W/m×K 738.77 Calculated Property
λ 0.04 W/m×K 782.31 Calculated Property
λ 0.04 W/m×K 825.84 Calculated Property
λ 0.04 W/m×K 869.38 Calculated Property
λ 0.05 W/m×K 912.92 Calculated Property
λ 0.05 W/m×K 956.46 Calculated Property
λ 0.05 W/m×K 1000.00 Calculated Property
Property Value Unit Temperature (K) Source
λ [0.16; 0.10] W/m×K [346.30; 660.35] ChemSep v8.3 pure component data Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is λ in W/m×K, T in K
Coefficient A2.24820e-01
Coefficient B-1.94670e-04
Coefficient C0.00000e+00
Coefficient D0.00000e+00
Coefficient E0.00000e+00
CommentChemSep eq 100, LiquidThermalConductivity
Temperature range, min.346.30
Temperature range, max.660.35
λ 0.16 W/m×K 346.30 Calculated Property
λ 0.15 W/m×K 381.19 Calculated Property
λ 0.14 W/m×K 416.09 Calculated Property
λ 0.14 W/m×K 450.98 Calculated Property
λ 0.13 W/m×K 485.88 Calculated Property
λ 0.12 W/m×K 520.77 Calculated Property
λ 0.12 W/m×K 555.67 Calculated Property
λ 0.11 W/m×K 590.56 Calculated Property
λ 0.10 W/m×K 625.46 Calculated Property
λ 0.10 W/m×K 660.35 Calculated Property

Similar Compounds

Phenol, 4,4'-(1-methylethylidene)bis-. 2-(4-Methylphenyl)-2-(4-hydroxyphenyl)propane. Benzene, 1,1'-(1-methylethylidene)bis[4-methoxy-. 2,2-Bis-(4-cyanatophenyl)propane. Phenol, 2-[1-(4-hydroxyphenyl)-1-methylethyl]-. Benzene, 1,1'-(1-methylethylidene)bis-. 4,4',4"-(Ethylidene)trisphenol. 2-(.alpha.,.alpha.-dimethylbenzyl) phenol. 2,2-BIS[(4-TRIMETHYLSILOXY)PHENYL]PROPANE. Phenol, 4,4'-(1-methylethylidene)bis[2-methyl-. Silane, dimethyldi(4-(2-phenylprop-2-yl)phenoxy)-. 2,4-BIS(DIMETHYLBENZYL)PHENOL. Phenol, 4,4'-isopropylidene bis(2-tert-butyl)-. 4-(1-Phenylethyl)phenol. 2,6-BIS(t-BUTYL)-4-(DIMETHYLBENZYL)PHENOL.

Find more compounds similar to Phenol, 4-(1-methyl-1-phenylethyl)-.

Sources

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
These property values are available through the Cheméo API. A free account gives you an access key.