Chemical Properties of 2-Allylphenol (CAS 1745-81-9)

InChI

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

InChI Key

QIRNGVVZBINFMX-UHFFFAOYSA-N

Formula

C9H10O

SMILES

C=CCc1ccccc1O

Molecular Weight¹

134.18

CAS

1745-81-9

Other Names

• 2-(2-Propenyl)-phenol
• Phenol, 2-(2-propenyl)-
• Phenol, 2-(propenyl)-
• Phenol, o-allyl-
• o-Allylphenol

• 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 : 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	-31.41	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	17.61	kJ/mol	Joback Calculated Property
ΔvapH°	62.53	kJ/mol	Relay (1.0) Calculated Property
IE	8.18	eV	Relay (1.0) Calculated Property
log10WS	-1.33		Relay (1.0) Calculated Property
logPoct/wat	2.121		Crippen Calculated Property
McVol	115.480	ml/mol	McGowan Calculated Property
Inp	[192.80; 1199.00]
Inp	1170.00		NIST
Inp	1170.00		NIST
Inp	1199.00		NIST
Inp	1138.00		NIST
Inp	192.80		NIST
Inp	192.80		NIST
Inp	1170.00		NIST
Inp	1199.00		NIST
I	[2039.00; 2132.00]
I	2039.00		NIST
I	2039.00		NIST
I	2132.00		NIST
Tboil	[493.00; 493.20]	K
Tboil	493.20	K	NIST
Tboil	493.00 ± 5.00	K	NIST
Tc	718.13	K	Relay (1.0) Calculated Property
Tfus	275.60	K	Relay (1.0) Calculated Property

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	[0.0042028; 0.0000730]	Pa×s	[327.57; 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.			327.57
Temperature range, max.			515.77
η	0.0042028	Pa×s	327.57	Calculated Property
η	0.0021579	Pa×s	348.48	Calculated Property
η	0.0011949	Pa×s	369.39	Calculated Property
η	0.0007049	Pa×s	390.30	Calculated Property
η	0.0004387	Pa×s	411.21	Calculated Property
η	0.0002859	Pa×s	432.13	Calculated Property
η	0.0001938	Pa×s	453.04	Calculated Property
η	0.0001360	Pa×s	473.95	Calculated Property
η	0.0000983	Pa×s	494.86	Calculated Property
η	0.0000730	Pa×s	515.77	Calculated Property

Similar Compounds

Find more compounds similar to 2-Allylphenol.

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

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.
These property values are available through the Cheméo API. A free account gives you an access key.