Chemical Properties of Hydroperoxide, 1-methyl-1-phenylethyl (CAS 80-15-9)

InChI

InChI=1S/C9H12O2/c1-9(2,11-10)8-6-4-3-5-7-8/h3-7,10H,1-2H3

InChI Key

YQHLDYVWEZKEOX-UHFFFAOYSA-N

Formula

C9H12O2

SMILES

CC(C)(OO)c1ccccc1

Molecular Weight¹

152.19

CAS

80-15-9

Other Names

• 1-Methyl-1-phenylethyl hydroperoxide
• 7-Cumyl hydroperoxide
• 7-Hydroperoxykumen
• CHP
• CHP-158
• CHP-5
• Cumeenhydroperoxyde
• Cumene hydroperoxide
• Cument hydroperoxide
• Cumenyl hydroperoxide
• Cumolhydroperoxid
• Cumyl hydroperoxide
• Hydroperoxide, «alpha»,«alpha»-dimethylbenzyl
• Hydroperoxide, «alpha»,«alpha»-dimethylbenzyl
• Hydroperoxyde de cumene
• Hydroperoxyde de cumyle
• Hyperiz
• Idroperossido di cumene
• Idroperossido di cumolo
• Isopropylbenzene hydroperoxide
• Kumenylhydroperoxid
• Percumyl H
• Rcra waste number U096
• Trigonox K 80
• Trigonox K-95
• Trigonox R 239A
• UN 2116
• «alpha»,«alpha»-Dimethylbenzyl hydroperoxide
• «alpha»-Cumene hydroperoxide
• «alpha»-Cumyl hydroperoxide
• «alpha»,«alpha»-Dimethylbenzyl hydroperoxide
• «alpha»-Cumene hydroperoxide
• «alpha»-Cumyl hydroperoxide

• ω : Acentric Factor.
• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fH°_liquid : Liquid phase 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_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).
• 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).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.5501		Relay (1.0) Calculated Property
ΔcH°liquid	-5108.20 ± 6.70	kJ/mol	NIST
ΔfG°	-101.67	kJ/mol	Joback Calculated Property
ΔfH°gas	-78.70 ± 6.70	kJ/mol	NIST
ΔfH°liquid	-149.00 ± 6.70	kJ/mol	NIST
ΔfH°solid	-192.00	kJ/mol	NIST
ΔfusH°	10.97	kJ/mol	Joback Calculated Property
ΔvapH°	[69.90; 70.30]	kJ/mol
ΔvapH°	69.90	kJ/mol	NIST
ΔvapH°	69.90 ± 0.20	kJ/mol	NIST
ΔvapH°	70.30	kJ/mol	NIST
IE	9.04	eV	Relay (1.0) Calculated Property
log10WS	-1.60		Relay (1.0) Calculated Property
logPoct/wat	2.411		Crippen Calculated Property
McVol	125.650	ml/mol	McGowan Calculated Property
Pc	3642.13	kPa	Joback Calculated Property
Tboil	481.16	K	Relay (1.0) Calculated Property
Tc	720.45	K	Relay (1.0) Calculated Property
Tfus	322.09	K	Relay (1.0) Calculated Property
Vc	0.456	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[293.53; 355.85]	J/mol×K	[543.37; 748.48]
Cp,gas	293.53	J/mol×K	543.37	Joback Calculated Property
Cp,gas	305.74	J/mol×K	577.56	Joback Calculated Property
Cp,gas	317.17	J/mol×K	611.74	Joback Calculated Property
Cp,gas	327.86	J/mol×K	645.93	Joback Calculated Property
Cp,gas	337.84	J/mol×K	680.11	Joback Calculated Property
Cp,gas	347.17	J/mol×K	714.30	Joback Calculated Property
Cp,gas	355.85	J/mol×K	748.48	Joback Calculated Property
η	[0.0000892; 0.0105883]	Pa×s	[303.08; 543.37]
η	0.0105883	Pa×s	303.08	Joback Calculated Property
η	0.0030015	Pa×s	343.13	Joback Calculated Property
η	0.0011074	Pa×s	383.18	Joback Calculated Property
η	0.0004934	Pa×s	423.23	Joback Calculated Property
η	0.0002528	Pa×s	463.27	Joback Calculated Property
η	0.0001441	Pa×s	503.32	Joback Calculated Property
η	0.0000892	Pa×s	543.37	Joback Calculated Property
ΔvapH	74.00	kJ/mol	368.50	NIST

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[356.29; 528.17]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.07891e+01
Coefficient B			-1.96802e+03
Coefficient C			-1.68886e+02
Temperature range, min.			356.29
Temperature range, max.			528.17
Pvap	1.33	kPa	356.29	Calculated Property
Pvap	3.52	kPa	375.39	Calculated Property
Pvap	7.89	kPa	394.49	Calculated Property
Pvap	15.59	kPa	413.58	Calculated Property
Pvap	27.90	kPa	432.68	Calculated Property
Pvap	46.17	kPa	451.78	Calculated Property
Pvap	71.68	kPa	470.88	Calculated Property
Pvap	105.62	kPa	489.97	Calculated Property
Pvap	149.00	kPa	509.07	Calculated Property
Pvap	202.64	kPa	528.17	Calculated Property

Similar Compounds

Find more compounds similar to Hydroperoxide, 1-methyl-1-phenylethyl.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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