Chemical Properties of 2,5-Diethylphenol (CAS 876-20-0)

InChI

InChI=1S/C10H14O/c1-3-8-5-6-9(4-2)10(11)7-8/h5-7,11H,3-4H2,1-2H3

InChI Key

AQFCDVGUEQOTAC-UHFFFAOYSA-N

Formula

C10H14O

SMILES

CCc1ccc(CC)c(O)c1

Molecular Weight¹

150.22

CAS

876-20-0

• 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).
• 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.
• I : 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	0.5795		Relay (1.0) Calculated Property
ΔfH°gas	-192.56	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	21.09	kJ/mol	Joback Calculated Property
ΔvapH°	77.53	kJ/mol	Relay (1.0) Calculated Property
IE	8.10	eV	Relay (1.0) Calculated Property
log10WS	-2.34		Relay (1.0) Calculated Property
logPoct/wat	2.517		Crippen Calculated Property
McVol	133.870	ml/mol	McGowan Calculated Property
Pc	3407.89	kPa	Joback Calculated Property
Inp	[1271.00; 1271.00]
Inp	1271.00		NIST
Inp	1271.00		NIST
I	[1987.00; 1987.00]
I	1987.00		NIST
I	1987.00		NIST
I	1987.00		NIST
Tboil	505.41	K	Relay (1.0) Calculated Property
Tc	726.19	K	Relay (1.0) Calculated Property
Tfus	289.76	K	Relay (1.0) Calculated Property
Vc	0.481	m3/kmol	Relay (1.0) Calculated Property

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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[179.80; 436.09]	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			-3.47280e+01
Coefficient B			9.70040e-01
Coefficient C			-7.40720e-04
Coefficient D			2.41500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	179.80	J/mol×K	273.00	Calculated Property
Cp,gas	226.44	J/mol×K	353.78	Calculated Property
Cp,gas	266.75	J/mol×K	434.56	Calculated Property
Cp,gas	301.50	J/mol×K	515.33	Calculated Property
Cp,gas	331.47	J/mol×K	596.11	Calculated Property
Cp,gas	357.40	J/mol×K	676.89	Calculated Property
Cp,gas	380.06	J/mol×K	757.67	Calculated Property
Cp,gas	400.22	J/mol×K	838.44	Calculated Property
Cp,gas	418.65	J/mol×K	919.22	Calculated Property
Cp,gas	436.09	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0022455; 0.0000632]	Pa×s	[353.12; 532.18]	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			-1.67099e+01
Coefficient B			3.74698e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			353.12
Temperature range, max.			532.18
η	0.0022455	Pa×s	353.12	Calculated Property
η	0.0012750	Pa×s	373.02	Calculated Property
η	0.0007667	Pa×s	392.91	Calculated Property
η	0.0004842	Pa×s	412.81	Calculated Property
η	0.0003190	Pa×s	432.70	Calculated Property
η	0.0002180	Pa×s	452.60	Calculated Property
η	0.0001538	Pa×s	472.49	Calculated Property
η	0.0001117	Pa×s	492.39	Calculated Property
η	0.0000831	Pa×s	512.28	Calculated Property
η	0.0000632	Pa×s	532.18	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[380.00; 541.78]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.46228e+01
Coefficient B			-4.29840e+03
Coefficient C			-8.01500e+01
Temperature range, min.			380.00
Temperature range, max.			541.78
Pvap	1.33	kPa	380.00	Calculated Property
Pvap	3.00	kPa	397.98	Calculated Property
Pvap	6.19	kPa	415.95	Calculated Property
Pvap	11.85	kPa	433.93	Calculated Property
Pvap	21.33	kPa	451.90	Calculated Property
Pvap	36.36	kPa	469.88	Calculated Property
Pvap	59.13	kPa	487.85	Calculated Property
Pvap	92.30	kPa	505.83	Calculated Property
Pvap	138.96	kPa	523.80	Calculated Property
Pvap	202.64	kPa	541.78	Calculated Property

Similar Compounds

Find more compounds similar to 2,5-Diethylphenol.

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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