Chemical Properties of Phenol, 2-ethenyl- (CAS 695-84-1)

InChI

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

InChI Key

JESXATFQYMPTNL-UHFFFAOYSA-N

Formula

C8H8O

SMILES

C=Cc1ccccc1O

Molecular Weight¹

120.15

CAS

695-84-1

• 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 : 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	0.4928		Relay (1.0) Calculated Property
ΔfH°gas	-31.88	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	15.02	kJ/mol	Joback Calculated Property
ΔvapH°	59.57	kJ/mol	Relay (1.0) Calculated Property
IE	7.93	eV	Relay (1.0) Calculated Property
log10WS	-1.26		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	[1141.00; 1141.00]
Inp	1141.00		NIST
Inp	1141.00		NIST
I	2203.00		NIST
Tboil	474.58	K	Relay (1.0) Calculated Property
Tc	722.88	K	Relay (1.0) Calculated Property
Tfus	[302.40; 302.40]	K
Tfus	302.40 ± 1.00	K	NIST
Tfus	302.40 ± 0.60	K	NIST
Vc	0.337	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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[207.61; 262.30]	J/mol×K	[486.62; 717.99]
Cp,gas	207.61	J/mol×K	486.62	Joback Calculated Property
Cp,gas	218.75	J/mol×K	525.18	Joback Calculated Property
Cp,gas	228.96	J/mol×K	563.74	Joback Calculated Property
Cp,gas	238.33	J/mol×K	602.31	Joback Calculated Property
Cp,gas	246.95	J/mol×K	640.87	Joback Calculated Property
Cp,gas	254.91	J/mol×K	679.43	Joback Calculated Property
Cp,gas	262.30	J/mol×K	717.99	Joback Calculated Property
η	[0.0001003; 0.0050655]	Pa×s	[316.30; 486.62]
η	0.0050655	Pa×s	316.30	Joback Calculated Property
η	0.0020128	Pa×s	344.69	Joback Calculated Property
η	0.0009204	Pa×s	373.07	Joback Calculated Property
η	0.0004701	Pa×s	401.46	Joback Calculated Property
η	0.0002624	Pa×s	429.85	Joback Calculated Property
η	0.0001574	Pa×s	458.23	Joback Calculated Property
η	0.0001003	Pa×s	486.62	Joback Calculated Property

Similar Compounds

Find more compounds similar to Phenol, 2-ethenyl-.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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