Chemical Properties of 8-hydroperoxy-p-cymene

InChI

InChI=1S/C10H14O2/c1-8-4-6-9(7-5-8)10(2,3)12-11/h4-7,11H,1-3H3

InChI Key

YCCHNFGPIFYNTF-UHFFFAOYSA-N

Formula

C10H14O2

SMILES

Cc1ccc(C(C)(C)OO)cc1

Molecular Weight¹

166.22

• ω : Acentric Factor.
• 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_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (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).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (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	0.5881		Relay (1.0) Calculated Property
ΔfG°	-102.88	kJ/mol	Joback Calculated Property
ΔfH°gas	-127.11	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	13.17	kJ/mol	Joback Calculated Property
ΔvapH°	73.26	kJ/mol	Relay (1.0) Calculated Property
IE	8.70	eV	Relay (1.0) Calculated Property
log10WS	-2.18		Relay (1.0) Calculated Property
logPoct/wat	2.720		Crippen Calculated Property
McVol	139.740	ml/mol	McGowan Calculated Property
Pc	3199.16	kPa	Joback Calculated Property
Inp	[1321.00; 1321.00]
Inp	1321.00		NIST
Inp	1321.00		NIST
Tboil	499.14	K	Relay (1.0) Calculated Property
Tc	732.88	K	Relay (1.0) Calculated Property
Tfus	329.23	K	Relay (1.0) Calculated Property
Vc	0.510	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[189.36; 452.31]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-1.94900e+01
Coefficient B			9.12060e-01
Coefficient C			-5.75560e-04
Coefficient D			1.35300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	189.36	J/mol×K	273.00	Calculated Property
Cp,gas	237.13	J/mol×K	353.78	Calculated Property
Cp,gas	279.27	J/mol×K	434.56	Calculated Property
Cp,gas	316.19	J/mol×K	515.33	Calculated Property
Cp,gas	348.33	J/mol×K	596.11	Calculated Property
Cp,gas	376.13	J/mol×K	676.89	Calculated Property
Cp,gas	399.99	J/mol×K	757.67	Calculated Property
Cp,gas	420.36	J/mol×K	838.44	Calculated Property
Cp,gas	437.65	J/mol×K	919.22	Calculated Property
Cp,gas	452.31	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0054090; 0.0000962]	Pa×s	[326.87; 542.20]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.53657e+01
Coefficient B			3.31642e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			326.87
Temperature range, max.			542.20
η	0.0054090	Pa×s	326.87	Calculated Property
η	0.0027076	Pa×s	350.80	Calculated Property
η	0.0014806	Pa×s	374.72	Calculated Property
η	0.0008704	Pa×s	398.65	Calculated Property
η	0.0005435	Pa×s	422.57	Calculated Property
η	0.0003569	Pa×s	446.50	Calculated Property
η	0.0002446	Pa×s	470.43	Calculated Property
η	0.0001739	Pa×s	494.35	Calculated Property
η	0.0001276	Pa×s	518.28	Calculated Property
η	0.0000962	Pa×s	542.20	Calculated Property

Similar Compounds

Find more compounds similar to 8-hydroperoxy-p-cymene.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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