Chemical Properties of 4-vinylphenol (CAS 2628-17-3)

InChI

InChI=1S/C8H8O/c1-2-7-3-5-8(9)6-4-7/h2-6,9H,1H2

InChI Key

FUGYGGDSWSUORM-UHFFFAOYSA-N

Formula

C8H8O

SMILES

C=Cc1ccc(O)cc1

Molecular Weight¹

120.15

CAS

2628-17-3

Other Names

• 4-Ethenylphenol
• 4-hydroxystyrene
• Phenol, 4-ethenyl-
• p-hydroxystyrene
• p-vinylphenol
• para-Vinyl phenol

• 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).
• 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).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.5011		Relay (1.0) Calculated Property
ΔfH°gas	-16.02	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	15.02	kJ/mol	Joback Calculated Property
ΔvapH°	64.14	kJ/mol	Relay (1.0) Calculated Property
IE	8.01	eV	Relay (1.0) Calculated Property
log10WS	-1.28		Relay (1.0) Calculated Property
logPoct/wat	2.035		Crippen Calculated Property
McVol	101.390	ml/mol	McGowan Calculated Property
Pc	4665.71	kPa	Joback Calculated Property
Inp	[208.70; 1247.00]
Inp	1224.00		NIST
Inp	1180.00		NIST
Inp	1247.00		NIST
Inp	1188.00		NIST
Inp	1237.00		NIST
Inp	1229.00		NIST
Inp	1229.00		NIST
Inp	1200.00		NIST
Inp	1211.00		NIST
Inp	1173.00		NIST
Inp	1190.00		NIST
Inp	1240.00		NIST
Inp	1190.00		NIST
Inp	1190.00		NIST
Inp	1190.00		NIST
Inp	1190.00		NIST
Inp	1219.00		NIST
Inp	1199.00		NIST
Inp	1199.00		NIST
Inp	1212.00		NIST
Inp	1224.00		NIST
Inp	1216.00		NIST
Inp	1223.00		NIST
Inp	1229.00		NIST
Inp	1194.00		NIST
Inp	1219.00		NIST
Inp	Outlier 208.70		NIST
Inp	1219.00		NIST
Inp	1216.00		NIST
Inp	Outlier 208.70		NIST
Ip	[2340.00; 2427.00]
Ip	2353.00		NIST
Ip	2372.00		NIST
Ip	2411.00		NIST
Ip	2417.00		NIST
Ip	2379.00		NIST
Ip	2377.00		NIST
Ip	2398.00		NIST
Ip	2358.00		NIST
Ip	2384.00		NIST
Ip	2369.00		NIST
Ip	2340.00		NIST
Ip	2352.00		NIST
Ip	2350.00		NIST
Ip	2352.00		NIST
Ip	2379.00		NIST
Ip	2379.00		NIST
Ip	2379.00		NIST
Ip	2377.00		NIST
Ip	2377.00		NIST
Ip	2397.00		NIST
Ip	2378.00		NIST
Ip	2406.00		NIST
Ip	2422.00		NIST
Ip	2404.00		NIST
Ip	2358.00		NIST
Ip	2427.00		NIST
Ip	2425.00		NIST
Ip	2427.00		NIST
Ip	2422.00		NIST
Ip	2415.00		NIST
Ip	2372.00		NIST
Ip	2391.00		NIST
Ip	2367.00		NIST
Ip	2390.00		NIST
Ip	2340.00		NIST
Ip	2343.00		NIST
Ip	2409.00		NIST
Ip	2386.00		NIST
Ip	2404.00		NIST
Ip	2360.00		NIST
Ip	2362.00		NIST
Ip	2404.00		NIST
Ip	2371.00		NIST
Ip	2420.00		NIST
Ip	2357.00		NIST
Ip	2372.00		NIST
Ip	2384.00		NIST
Ip	2379.00		NIST
Ip	2397.00		NIST
Ip	2406.00		NIST
Ip	2425.00		NIST
Ip	2391.00		NIST
Ip	2409.00		NIST
Ip	2404.00		NIST
Ip	2420.00		NIST
Tboil	503.30	K	Relay (1.0) Calculated Property
Tc	727.51	K	Relay (1.0) Calculated Property
Tfus	[335.00; 346.70]	K
Tfus	346.40	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus	341.00 ± 4.00	K	NIST
Tfus	346.00 ± 3.00	K	NIST
Tfus	Outlier 335.00 ± 4.00	K	NIST
Tfus	343.00 ± 3.00	K	NIST
Tfus	344.40 ± 2.00	K	NIST
Tfus	344.90 ± 3.00	K	NIST
Tfus	345.90 ± 3.00	K	NIST
Tfus	345.00 ± 2.00	K	NIST
Tfus	343.00 ± 4.00	K	NIST
Tfus	346.70 ± 1.00	K	NIST
Vc	0.334	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	[125.01; 307.44]	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			-5.02000e+01
Coefficient B			8.19500e-01
Coefficient C			-7.21860e-04
Coefficient D			2.60000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	125.01	J/mol×K	273.00	Calculated Property
Cp,gas	160.89	J/mol×K	353.78	Calculated Property
Cp,gas	190.94	J/mol×K	434.56	Calculated Property
Cp,gas	216.00	J/mol×K	515.33	Calculated Property
Cp,gas	236.88	J/mol×K	596.11	Calculated Property
Cp,gas	254.41	J/mol×K	676.89	Calculated Property
Cp,gas	269.40	J/mol×K	757.67	Calculated Property
Cp,gas	282.69	J/mol×K	838.44	Calculated Property
Cp,gas	295.10	J/mol×K	919.22	Calculated Property
Cp,gas	307.44	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0020162; 0.0000795]	Pa×s	[344.63; 502.59]	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			-1.64923e+01
Coefficient B			3.54476e+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.			344.63
Temperature range, max.			502.59
η	0.0020162	Pa×s	344.63	Calculated Property
η	0.0012248	Pa×s	362.18	Calculated Property
η	0.0007791	Pa×s	379.73	Calculated Property
η	0.0005158	Pa×s	397.28	Calculated Property
η	0.0003536	Pa×s	414.84	Calculated Property
η	0.0002500	Pa×s	432.39	Calculated Property
η	0.0001816	Pa×s	449.94	Calculated Property
η	0.0001351	Pa×s	467.49	Calculated Property
η	0.0001027	Pa×s	485.04	Calculated Property
η	0.0000795	Pa×s	502.59	Calculated Property

Similar Compounds

Find more compounds similar to 4-vinylphenol.

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)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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