Chemical Properties of Phenol, 2-methoxy-4-propyl-

InChI

InChI=1S/C10H14O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h5-7,11H,3-4H2,1-2H3

InChI Key

PXIKRTCSSLJURC-UHFFFAOYSA-N

Formula

C10H14O2

SMILES

CCCc1ccc(O)c(OC)c1

Molecular Weight¹

166.22

Other Names

• (4-Hydroxy-3-methoxyphenyl)propane
• p-Propylguaiacol
• Cerulignol
• Coerulignol
• Dihydroeugenol
• Guaiacylpropane
• 1-(4-Hydroxy-3-methoxyphenyl)propane
• 2-Methoxy-4-propylphenol
• 4-Hydroxy-3-methoxypropylbenzene
• 4-Propyl-2-methoxyphenol
• 4-Propylguaiacol
• 2-Methoxy-4-n-propylphenol
• p-n-Propylguaiacol
• 1-Propyl-3-methoxy-4-hydroxybenzene
• 2-Methoxy-4-(1-propyl)phenol
• Eugenol dihydro
• Phenol, 4-propyl, 2-methoxy
• 1-(3-Methoxy-4-hydroxyphenyl)propane
• Guaiacol, 4-propyl-
• NSC 53043
• 4-Propyl-2-methoxyphenol (4-propylguaiacol)
• Propyl guaiacol
• 2-Methoxy-4-propylphenol (p-propylguaiacol)

• 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).
• I_np : Non-polar retention indices.
• I_p : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-304.51	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	22.28	kJ/mol	Joback Calculated Property
ΔvapH°	71.74	kJ/mol	Relay (1.0) Calculated Property
IE	7.92	eV	Relay (1.0) Calculated Property
log10WS	-2.40		Relay (1.0) Calculated Property
logPoct/wat	2.353		Crippen Calculated Property
McVol	139.740	ml/mol	McGowan Calculated Property
Inp	[1334.00; 1406.00]
Inp	1345.00		NIST
Inp	1392.00		NIST
Inp	1357.00		NIST
Inp	1382.00		NIST
Inp	1382.00		NIST
Inp	1375.40		NIST
Inp	1376.30		NIST
Inp	1356.00		NIST
Inp	1373.00		NIST
Inp	1374.00		NIST
Inp	1337.00		NIST
Inp	1344.00		NIST
Inp	1352.00		NIST
Inp	1334.00		NIST
Inp	1365.00		NIST
Inp	1374.00		NIST
Inp	1373.00		NIST
Inp	Outlier 1406.00		NIST
Inp	1352.00		NIST
Inp	1373.00		NIST
Inp	1371.00		NIST
Inp	1392.00		NIST
Inp	1392.00		NIST
Inp	1357.00		NIST
Inp	1365.00		NIST
Inp	1373.00		NIST
Inp	1345.00		NIST
Ip	[2081.00; 2146.00]
Ip	2103.00		NIST
Ip	2091.00		NIST
Ip	2103.00		NIST
Ip	2084.00		NIST
Ip	2081.00		NIST
Ip	2103.00		NIST
Ip	2099.00		NIST
Ip	2139.00		NIST
Ip	2113.00		NIST
Ip	2142.00		NIST
Ip	2146.00		NIST
Ip	2134.00		NIST
Ip	2103.00		NIST
Ip	2117.00		NIST
Ip	2103.00		NIST
Ip	2115.00		NIST
Ip	2083.00		NIST
Ip	2091.00		NIST
Ip	2090.00		NIST
Ip	2139.00		NIST
Tboil	523.47	K	Relay (1.0) Calculated Property
Tfus	289.15 ± 2.00	K	NIST

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[195.21; 454.59]	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			-9.22800e+00
Coefficient B			9.06840e-01
Coefficient C			-6.29720e-04
Coefficient D			1.86700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	195.21	J/mol×K	273.00	Calculated Property
Cp,gas	241.04	J/mol×K	353.78	Calculated Property
Cp,gas	281.25	J/mol×K	434.56	Calculated Property
Cp,gas	316.41	J/mol×K	515.33	Calculated Property
Cp,gas	347.13	J/mol×K	596.11	Calculated Property
Cp,gas	373.98	J/mol×K	676.89	Calculated Property
Cp,gas	397.56	J/mol×K	757.67	Calculated Property
Cp,gas	418.46	J/mol×K	838.44	Calculated Property
Cp,gas	437.28	J/mol×K	919.22	Calculated Property
Cp,gas	454.59	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0269480; 0.0000497]	Pa×s	[289.15; 546.08]	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			-1.69947e+01
Coefficient B			3.86907e+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.			289.15
Temperature range, max.			546.08
η	0.0269480	Pa×s	289.15	Calculated Property
η	0.0080973	Pa×s	317.70	Calculated Property
η	0.0029666	Pa×s	346.25	Calculated Property
η	0.0012665	Pa×s	374.79	Calculated Property
η	0.0006100	Pa×s	403.34	Calculated Property
η	0.0003235	Pa×s	431.89	Calculated Property
η	0.0001857	Pa×s	460.44	Calculated Property
η	0.0001137	Pa×s	488.98	Calculated Property
η	0.0000735	Pa×s	517.53	Calculated Property
η	0.0000497	Pa×s	546.08	Calculated Property

Similar Compounds

Find more compounds similar to Phenol, 2-methoxy-4-propyl-.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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