Chemical Properties of 1,2-Benzenediol, diacetate (CAS 635-67-6)

InChI

InChI=1S/C10H10O4/c1-7(11)13-9-5-3-4-6-10(9)14-8(2)12/h3-6H,1-2H3

InChI Key

FBSAITBEAPNWJG-UHFFFAOYSA-N

Formula

C10H10O4

SMILES

CC(=O)Oc1ccccc1OC(C)=O

Molecular Weight¹

194.18

CAS

635-67-6

Other Names

• o-Diacetoxybenzene
• Pyrocatechol, diacetate
• Diacetylated catechol
• Catechol diacetate
• o-phenylene di(acetate)
• 1,2-Diacetoxybenzene

• 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).
• 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.
• 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	0.6144		Relay (1.0) Calculated Property
ΔfG°	-484.64	kJ/mol	Joback Calculated Property
ΔfH°gas	-633.06	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	24.05	kJ/mol	Joback Calculated Property
ΔvapH°	75.05	kJ/mol	Relay (1.0) Calculated Property
IE	8.39	eV	Relay (1.0) Calculated Property
log10WS	-2.10		Relay (1.0) Calculated Property
logPoct/wat	1.537		Crippen Calculated Property
McVol	142.880	ml/mol	McGowan Calculated Property
Pc	2915.53	kPa	Joback Calculated Property
Inp	[284.80; 284.80]
Inp	284.80		NIST
Inp	284.80		NIST
Tboil	534.35	K	Relay (1.0) Calculated Property
Tc	736.12	K	Relay (1.0) Calculated Property
Tfus	319.45	K	Relay (1.0) Calculated Property
Vc	0.535	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[195.59; 429.89]	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			2.50100e+01
Coefficient B			7.05840e-01
Coefficient C			-2.95160e-04
Coefficient D			-5.80000e-09
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	195.59	J/mol×K	273.00	Calculated Property
Cp,gas	237.52	J/mol×K	353.78	Calculated Property
Cp,gas	275.52	J/mol×K	434.56	Calculated Property
Cp,gas	309.57	J/mol×K	515.33	Calculated Property
Cp,gas	339.66	J/mol×K	596.11	Calculated Property
Cp,gas	365.75	J/mol×K	676.89	Calculated Property
Cp,gas	387.84	J/mol×K	757.67	Calculated Property
Cp,gas	405.90	J/mol×K	838.44	Calculated Property
Cp,gas	419.93	J/mol×K	919.22	Calculated Property
Cp,gas	429.89	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0022172; 0.0001750]	Pa×s	[326.06; 553.74]	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			-1.22872e+01
Coefficient B			2.01364e+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.			326.06
Temperature range, max.			553.74
η	0.0022172	Pa×s	326.06	Calculated Property
η	0.0014213	Pa×s	351.36	Calculated Property
η	0.0009672	Pa×s	376.65	Calculated Property
η	0.0006909	Pa×s	401.95	Calculated Property
η	0.0005136	Pa×s	427.25	Calculated Property
η	0.0003946	Pa×s	452.55	Calculated Property
η	0.0003118	Pa×s	477.84	Calculated Property
η	0.0002523	Pa×s	503.14	Calculated Property
η	0.0002083	Pa×s	528.44	Calculated Property
η	0.0001750	Pa×s	553.74	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[0.13; 100.88]	kPa	[371.00; 551.00]	NIST
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.79934e+01
Coefficient B			-7.25970e+03
Coefficient C			-8.40100e+00
Reference			Stull, 1947
Comment			Coefficents calculated by NIST from author's data.
Temperature range, min.			371.00
Temperature range, max.			551.00
Pvap	0.13	kPa	371.00	Calculated Property
Pvap	0.37	kPa	391.00	Calculated Property
Pvap	0.96	kPa	411.00	Calculated Property
Pvap	2.26	kPa	431.00	Calculated Property
Pvap	4.91	kPa	451.00	Calculated Property
Pvap	9.98	kPa	471.00	Calculated Property
Pvap	19.12	kPa	491.00	Calculated Property
Pvap	34.78	kPa	511.00	Calculated Property
Pvap	60.46	kPa	531.00	Calculated Property
Pvap	100.88	kPa	551.00	Calculated Property

Similar Compounds

Find more compounds similar to 1,2-Benzenediol, diacetate.

Sources

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

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