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

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

Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
C_p,gas : Ideal gas heat capacity (J/mol×K).
C_p,solid : Solid phase heat capacity (J/mol×K).
η : Dynamic viscosity (Pa×s).
Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
Δ_fH°_solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
Δ_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
Δ_vapH : Enthalpy of vaporization at a given temperature (kJ/mol).
IE : Ionization energy (eV).
log₁₀WS : Log10 of Water solubility in mol/l.
logP_oct/wat : Octanol/Water partition coefficient.
McVol : McGowan's characteristic volume (ml/mol).
P_c : Critical Pressure (kPa).
P_vap : Vapor pressure (kPa).
I_np : Non-polar retention indices.
Δ_fusS : Entropy of fusion at a given temperature (J/mol×K).
S°_{solid,1 bar} : Solid phase molar entropy at standard conditions (J/mol×K).
T_boil : Normal Boiling Point Temperature (K).
T_boilr : Boiling point at reduced pressure (K).
T_c : Critical Temperature (K).
T_fus : Normal melting (fusion) point (K).
T_triple : Triple Point Temperature (K).
¹: Molecular weight from the IUPAC atomic weights tables.

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Physical Properties

Property	Value	Unit	Source
Δ_cH°_solid	[-7840.00; -7820.70]	kJ/mol
Δ_cH°_solid	-7840.00 ± 1.70	kJ/mol	NIST
Δ_cH°_solid	-7820.70 ± 1.70	kJ/mol	NIST
Δ_fH°_gas	-198.44	kJ/mol	Relay (1.0) Calculated Property
Δ_fH°_solid	[-368.60; -349.40]	kJ/mol
Δ_fH°_solid	-349.40 ± 1.70	kJ/mol	NIST
Δ_fH°_solid	-368.60 ± 1.80	kJ/mol	NIST
Δ_fusH°	30.70	kJ/mol	Solubility of Bisphenol A in Supercritical Carbon Dioxide
Δ_vapH°	117.23	kJ/mol	Relay (1.0) Calculated Property
IE	7.88	eV	Relay (1.0) Calculated Property
log₁₀WS	-2.82		Aq. Solubility Prediction
logP_oct/wat	3.424		Crippen Calculated Property
McVol	186.430	ml/mol	McGowan Calculated Property
P_c	3547.31	kPa	Joback Calculated Property
I_np	[359.41; 2108.00]
I_np	2108.00		NIST
I_np	2108.00		NIST
I_np	2108.00		NIST
I_np	359.41		NIST
I_np	2108.00		NIST
S°_{solid,1 bar}	287.70	J/mol×K	NIST
T_boil	601.12	K	Relay (1.0) Calculated Property
T_c	905.20	K	Relay (1.0) Calculated Property
T_fus	[427.65; 431.00]	K
T_fus	427.65	K	Aq. Solubility Prediction
T_fus	431.00 ± 4.00	K	NIST
T_triple	[433.00; 433.00]	K
T_triple	433.00 ± 1.00	K	NIST
T_triple	433.00 ± 1.00	K	NIST

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor 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
C_p,gas	[528.97; 608.03]	J/mol×K	[753.97; 1018.62]

C_p,gas	528.97	J/mol×K	753.97	Joback Calculated Property
C_p,gas	543.20	J/mol×K	798.08	Joback Calculated Property
C_p,gas	556.63	J/mol×K	842.19	Joback Calculated Property
C_p,gas	569.54	J/mol×K	886.29	Joback Calculated Property
C_p,gas	582.22	J/mol×K	930.40	Joback Calculated Property
C_p,gas	594.96	J/mol×K	974.51	Joback Calculated Property
C_p,gas	608.03	J/mol×K	1018.62	Joback Calculated Property
C_p,solid	287.72	J/mol×K	298.15	NIST
η	[0.0000007; 0.0000313]	Pa×s	[537.51; 753.97]

η	0.0000313	Pa×s	537.51	Joback Calculated Property
η	0.0000137	Pa×s	573.59	Joback Calculated Property
η	0.0000066	Pa×s	609.66	Joback Calculated Property
η	0.0000035	Pa×s	645.74	Joback Calculated Property
η	0.0000019	Pa×s	681.82	Joback Calculated Property
η	0.0000012	Pa×s	717.89	Joback Calculated Property
η	0.0000007	Pa×s	753.97	Joback Calculated Property
Δ_fusH	[30.10; 30.10]	kJ/mol	[433.00; 433.00]
Δ_fusH	30.10	kJ/mol	433.00	NIST
Δ_fusH	30.10	kJ/mol	433.00	NIST
Δ_fusH	30.10	kJ/mol	433.00	NIST
Δ_fusH	30.10	kJ/mol	433.00	NIST
Δ_vapH	102.20	kJ/mol	550.00	NIST
Δ_fusS	[69.60; 69.60]	J/mol×K	[433.00; 433.00]
Δ_fusS	69.60	J/mol×K	433.00	NIST
Δ_fusS	69.60	J/mol×K	433.00	NIST

Pressure Dependent Properties

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

Correlations

Property	Value	Unit	Temperature (K)	Source
P_vap	[1.33; 202.63]	kPa	[507.33; 665.02]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.44248e+01
Coefficient B			-4.04412e+03
Coefficient C			-2.21266e+02
Temperature range, min.			507.33
Temperature range, max.			665.02

P_vap	1.33	kPa	507.33	Calculated Property
P_vap	3.01	kPa	524.85	Calculated Property
P_vap	6.24	kPa	542.37	Calculated Property
P_vap	11.97	kPa	559.89	Calculated Property
P_vap	21.53	kPa	577.41	Calculated Property
P_vap	36.67	kPa	594.94	Calculated Property
P_vap	59.55	kPa	612.46	Calculated Property
P_vap	92.76	kPa	629.98	Calculated Property
P_vap	139.32	kPa	647.50	Calculated Property
P_vap	202.63	kPa	665.02	Calculated Property
P_vap	[4.93e-03; 3034.89]	kPa	[426.15; 849.00]	KDB Vapor Pressure Data
Equation			ln(Pvp) = A + B/T + Cln(T) + DT^2
Coefficient A			2.95077e+02
Coefficient B			-3.04193e+04
Coefficient C			-3.80451e+01
Coefficient D			7.42083e-06
Temperature range, min.			426.15
Temperature range, max.			849.00

P_vap	4.93e-03	kPa	426.15	Calculated Property
P_vap	0.15	kPa	473.13	Calculated Property
P_vap	1.94	kPa	520.12	Calculated Property
P_vap	13.42	kPa	567.10	Calculated Property
P_vap	59.43	kPa	614.08	Calculated Property
P_vap	189.64	kPa	661.07	Calculated Property
P_vap	475.17	kPa	708.05	Calculated Property
P_vap	995.15	kPa	755.03	Calculated Property
P_vap	1824.84	kPa	802.02	Calculated Property
P_vap	3034.89	kPa	849.00	Calculated Property

Similar Compounds

2-(4-Methylphenyl)-2-(4-hydroxyphenyl)propane.

Benzene, 1,1'-(1-methylethylidene)bis[4-methoxy-.

2,2-BIS[(4-TRIMETHYLSILOXY)PHENYL]PROPANE.

Phenol, 2-[1-(4-hydroxyphenyl)-1-methylethyl]-.

2-(.alpha.,.alpha.-dimethylbenzyl) phenol.

Phenol, 4,4'-(1-methylethylidene)bis[2-methyl-.

Phenol, 4,4'-isopropylidene bis(2-tert-butyl)-.

Silane, dimethyldi(4-(2-phenylprop-2-yl)phenoxy)-.

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

Mixtures

Sources

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