Chemical Properties of Phenol, 2-methoxy-5-(1-propenyl)-, (E)- (CAS 19784-98-6)

InChI

InChI=1S/C10H12O2/c1-3-4-8-5-6-10(12-2)9(11)7-8/h3-7,11H,1-2H3/b4-3+

InChI Key

LHJZSWVADJCBNI-ONEGZZNKSA-N

Formula

C10H12O2

SMILES

CC=Cc1ccc(OC)c(O)c1

Molecular Weight¹

164.20

CAS

19784-98-6

Other Names

• Isochavibetol
• Phenol, 2-methoxy-5-propenyl-, (E)-
• trans-m-Propenyl guaiacol

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	22.48	kJ/mol	Joback Calculated Property
ΔvapH°	79.54	kJ/mol	Relay (1.0) Calculated Property
log10WS	-2.44		Relay (1.0) Calculated Property
logPoct/wat	2.434		Crippen Calculated Property
McVol	135.440	ml/mol	McGowan Calculated Property
I	[2312.00; 2312.00]
I	2312.00		NIST
I	2312.00		NIST
Tboil	536.45	K	Relay (1.0) Calculated Property
Tfus	350.39	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[315.48; 379.90]	J/mol×K	[567.26; 794.17]
Cp,gas	315.48	J/mol×K	567.26	Joback Calculated Property
Cp,gas	328.03	J/mol×K	605.08	Joback Calculated Property
Cp,gas	339.75	J/mol×K	642.90	Joback Calculated Property
Cp,gas	350.72	J/mol×K	680.72	Joback Calculated Property
Cp,gas	361.02	J/mol×K	718.53	Joback Calculated Property
Cp,gas	370.72	J/mol×K	756.35	Joback Calculated Property
Cp,gas	379.90	J/mol×K	794.17	Joback Calculated Property
η	[0.0000332; 0.0012214]	Pa×s	[370.27; 567.26]
η	0.0012214	Pa×s	370.27	Joback Calculated Property
η	0.0005242	Pa×s	403.10	Joback Calculated Property
η	0.0002556	Pa×s	435.93	Joback Calculated Property
η	0.0001378	Pa×s	468.76	Joback Calculated Property
η	0.0000805	Pa×s	501.60	Joback Calculated Property
η	0.0000503	Pa×s	534.43	Joback Calculated Property
η	0.0000332	Pa×s	567.26	Joback Calculated Property

Similar Compounds

Find more compounds similar to Phenol, 2-methoxy-5-(1-propenyl)-, (E)-.

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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