Chemical Properties of 4-ALLYLPHENOL

InChI

InChI=1S/C9H10O/c1-2-3-8-4-6-9(10)7-5-8/h2,4-7,10H,1,3H2

InChI Key

RGIBXDHONMXTLI-UHFFFAOYSA-N

Formula

C9H10O

SMILES

C=CCc1ccc(O)cc1

Molecular Weight¹

134.18

Other Names

• 4-(2-Propenyl)phenol
• 4-(Prop-2-enyl)-phenol
• Chavicol
• Phenol, 4-(2-propenyl)-
• Phenol, p-allyl-
• p-Allylphenol
• p-Chavicol
• p-Hydroxyallylbenzene
• «gamma»-(p-Hydroxyphenyl)-«alpha»-propylene

• 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).
• I_np : Non-polar retention indices.
• I_p : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (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	-28.45	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	17.61	kJ/mol	Joback Calculated Property
ΔvapH°	65.97	kJ/mol	Relay (1.0) Calculated Property
IE	8.20	eV	Relay (1.0) Calculated Property
log10WS	-1.54		Relay (1.0) Calculated Property
logPoct/wat	2.121		Crippen Calculated Property
McVol	115.480	ml/mol	McGowan Calculated Property
Inp	[195.70; 1265.00]
Inp	1254.00		NIST
Inp	1249.00		NIST
Inp	1234.00		NIST
Inp	1232.00		NIST
Inp	1234.00		NIST
Inp	1241.00		NIST
Inp	1243.00		NIST
Inp	1249.00		NIST
Inp	1219.00		NIST
Inp	1259.00		NIST
Inp	1260.00		NIST
Inp	1258.00		NIST
Inp	1260.00		NIST
Inp	1259.00		NIST
Inp	1255.00		NIST
Inp	1265.00		NIST
Inp	1229.00		NIST
Inp	1249.00		NIST
Inp	1233.00		NIST
Inp	1231.00		NIST
Inp	1251.00		NIST
Inp	1249.00		NIST
Inp	1252.00		NIST
Inp	1237.00		NIST
Inp	1253.00		NIST
Inp	1203.00		NIST
Inp	1214.00		NIST
Inp	1203.00		NIST
Inp	1256.00		NIST
Inp	1214.00		NIST
Inp	1238.00		NIST
Inp	1243.00		NIST
Inp	1237.00		NIST
Inp	Outlier 195.70		NIST
Inp	1253.00		NIST
Inp	1214.00		NIST
Inp	1254.00		NIST
Inp	1241.00		NIST
Ip	[2282.00; 2358.00]
Ip	2342.00		NIST
Ip	2339.00		NIST
Ip	2340.00		NIST
Ip	2327.00		NIST
Ip	2358.00		NIST
Ip	2358.00		NIST
Ip	2345.00		NIST
Ip	2345.00		NIST
Ip	2329.00		NIST
Ip	2346.00		NIST
Ip	Outlier 2282.00		NIST
Ip	2329.00		NIST
Ip	2328.00		NIST
Ip	2338.00		NIST
Ip	2324.00		NIST
Ip	2320.00		NIST
Ip	2316.00		NIST
Ip	2300.00		NIST
Ip	2329.00		NIST
Ip	2338.00		NIST
Tboil	511.76	K	Relay (1.0) Calculated Property
Tc	723.05	K	Relay (1.0) Calculated Property
Tfus	288.95	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value

Cheméo can also estimate 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[146.23; 359.03]	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			-5.11090e+01
Coefficient B			9.14500e-01
Coefficient C			-7.76260e-04
Coefficient D			2.71900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	146.23	J/mol×K	273.00	Calculated Property
Cp,gas	187.30	J/mol×K	353.78	Calculated Property
Cp,gas	222.02	J/mol×K	434.56	Calculated Property
Cp,gas	251.22	J/mol×K	515.33	Calculated Property
Cp,gas	275.79	J/mol×K	596.11	Calculated Property
Cp,gas	296.57	J/mol×K	676.89	Calculated Property
Cp,gas	314.42	J/mol×K	757.67	Calculated Property
Cp,gas	330.21	J/mol×K	838.44	Calculated Property
Cp,gas	344.79	J/mol×K	919.22	Calculated Property
Cp,gas	359.03	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0185509; 0.0000730]	Pa×s	[288.95; 515.77]	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			-1.65808e+01
Coefficient B			3.63892e+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.			288.95
Temperature range, max.			515.77
η	0.0185509	Pa×s	288.95	Calculated Property
η	0.0067546	Pa×s	314.15	Calculated Property
η	0.0028576	Pa×s	339.35	Calculated Property
η	0.0013616	Pa×s	364.56	Calculated Property
η	0.0007141	Pa×s	389.76	Calculated Property
η	0.0004050	Pa×s	414.96	Calculated Property
η	0.0002452	Pa×s	440.16	Calculated Property
η	0.0001567	Pa×s	465.37	Calculated Property
η	0.0001048	Pa×s	490.57	Calculated Property
η	0.0000730	Pa×s	515.77	Calculated Property

Similar Compounds

Find more compounds similar to 4-ALLYLPHENOL.

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• 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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
Compiled This icon marks a compiled value or equation: taken from a data compilation such as ChemSep, not from an original measurement report.
These property values are available through the Cheméo API. A free account gives you an access key.