Chemical Properties of Phenol, 3-ethyl-, acetate (CAS 3056-60-8)

InChI

InChI=1S/C10H12O2/c1-3-9-5-4-6-10(7-9)12-8(2)11/h4-7H,3H2,1-2H3

InChI Key

KAGKFSYVRVNAND-UHFFFAOYSA-N

Formula

C10H12O2

SMILES

CCc1cccc(OC(C)=O)c1

Molecular Weight¹

164.20

CAS

3056-60-8

Other Names

• Phenol, m-ethyl-, acetate
• m-Ethylphenyl acetate
• 3-Ethylphenol, O-acetyl-
• 3-Ethylphenyl acetate

• 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	0.5227		Relay (1.0) Calculated Property
ΔfG°	-174.27	kJ/mol	Joback Calculated Property
ΔfH°gas	-348.75	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	19.68	kJ/mol	Joback Calculated Property
ΔvapH°	63.06	kJ/mol	Relay (1.0) Calculated Property
IE	8.42	eV	Relay (1.0) Calculated Property
log10WS	-2.69		Relay (1.0) Calculated Property
logPoct/wat	2.174		Crippen Calculated Property
McVol	135.440	ml/mol	McGowan Calculated Property
Pc	2899.85	kPa	Joback Calculated Property
Inp	[1256.00; 1256.00]
Inp	1256.00		NIST
Inp	1256.00		NIST
Tboil	496.25	K	Relay (1.0) Calculated Property
Tc	709.63	K	Relay (1.0) Calculated Property
Tfus	233.18	K	Relay (1.0) Calculated Property
Vc	0.498	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[179.25; 421.78]	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			-3.99000e-01
Coefficient B			7.60640e-01
Coefficient C			-3.89760e-04
Coefficient D			5.13000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	179.25	J/mol×K	273.00	Calculated Property
Cp,gas	222.19	J/mol×K	353.78	Calculated Property
Cp,gas	260.75	J/mol×K	434.56	Calculated Property
Cp,gas	295.10	J/mol×K	515.33	Calculated Property
Cp,gas	325.39	J/mol×K	596.11	Calculated Property
Cp,gas	351.80	J/mol×K	676.89	Calculated Property
Cp,gas	374.48	J/mol×K	757.67	Calculated Property
Cp,gas	393.60	J/mol×K	838.44	Calculated Property
Cp,gas	409.31	J/mol×K	919.22	Calculated Property
Cp,gas	421.78	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0025685; 0.0002020]	Pa×s	[283.73; 510.55]	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			-1.16879e+01
Coefficient B			1.62392e+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.			283.73
Temperature range, max.			510.55
η	0.0025685	Pa×s	283.73	Calculated Property
η	0.0016103	Pa×s	308.93	Calculated Property
η	0.0010832	Pa×s	334.13	Calculated Property
η	0.0007703	Pa×s	359.34	Calculated Property
η	0.0005729	Pa×s	384.54	Calculated Property
η	0.0004418	Pa×s	409.74	Calculated Property
η	0.0003512	Pa×s	434.94	Calculated Property
η	0.0002862	Pa×s	460.15	Calculated Property
η	0.0002383	Pa×s	485.35	Calculated Property
η	0.0002020	Pa×s	510.55	Calculated Property

Similar Compounds

Find more compounds similar to Phenol, 3-ethyl-, acetate.

Sources

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

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