Chemical Properties of 1,3-Benzenediol, 4,5-dimethyl- (CAS 527-55-9)

InChI

InChI=1S/C8H10O2/c1-5-3-7(9)4-8(10)6(5)2/h3-4,9-10H,1-2H3

InChI Key

RCNCKKACINZDOI-UHFFFAOYSA-N

Formula

C8H10O2

SMILES

Cc1cc(O)cc(O)c1C

Molecular Weight¹

138.16

CAS

527-55-9

Other Names

• Resorcinol, 4,5-dimethyl-
• o-Xylorcinol
• 1,2-Dimethyl-3,5-dihydroxybenzene
• 1,3-Dihydroxy-4,5-dimethylbenzene
• 3,5-Dihydroxy-1,2-dimethylbenzene
• 4,5-Dimethylresorcinol

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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).
• 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).
• 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

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Temperature Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[154.26; 355.33]	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			-4.18300e+01
Coefficient B			9.34640e-01
Coefficient C			-8.88280e-04
Coefficient D			3.50800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	154.26	J/mol×K	273.00	Calculated Property
Cp,gas	193.18	J/mol×K	353.78	Calculated Property
Cp,gas	225.37	J/mol×K	434.56	Calculated Property
Cp,gas	251.93	J/mol×K	515.33	Calculated Property
Cp,gas	273.98	J/mol×K	596.11	Calculated Property
Cp,gas	292.62	J/mol×K	676.89	Calculated Property
Cp,gas	308.97	J/mol×K	757.67	Calculated Property
Cp,gas	324.13	J/mol×K	838.44	Calculated Property
Cp,gas	339.21	J/mol×K	919.22	Calculated Property
Cp,gas	355.33	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0002320; 0.0000106]	Pa×s	[442.30; 570.55]	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			-2.20955e+01
Coefficient B			6.07144e+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.			442.30
Temperature range, max.			570.55
η	0.0002320	Pa×s	442.30	Calculated Property
η	0.0001512	Pa×s	456.55	Calculated Property
η	0.0001011	Pa×s	470.80	Calculated Property
η	0.0000692	Pa×s	485.05	Calculated Property
η	0.0000484	Pa×s	499.30	Calculated Property
η	0.0000345	Pa×s	513.55	Calculated Property
η	0.0000251	Pa×s	527.80	Calculated Property
η	0.0000186	Pa×s	542.05	Calculated Property
η	0.0000139	Pa×s	556.30	Calculated Property
η	0.0000106	Pa×s	570.55	Calculated Property

Similar Compounds

Find more compounds similar to 1,3-Benzenediol, 4,5-dimethyl-.

Sources

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

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