Chemical Properties of Phenol, 2-methoxy-4-(1-propenyl)- (CAS 97-54-1)

InChI

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

InChI Key

BJIOGJUNALELMI-UHFFFAOYSA-N

Formula

C10H12O2

SMILES

CC=Cc1ccc(O)c(OC)c1

Molecular Weight¹

164.20

CAS

97-54-1

Other Names

• 1-(3-Methoxy-4-hydroxyphenyl)-1-propene
• 1-Hydroxy-2-methoxy-4-propenylbenzene
• 2-Methoxy-4-(1-propenyl)phenol
• 2-Methoxy-4-(1-propenyl)phenol (isoeugenol)
• 2-Methoxy-4-propenylphenol
• 2-Methoxy-4-propenylphenol (isoeugenol)
• 3-Methoxy-4-hydroxy-1-propenylbenzene
• 4-(1-Propenyl)-2-methoxyphenol (cis-isoeugenol)
• 4-Hydroxy-3-methoxy-1-propenylbenzene
• 4-Hydroxy-3-methoxypropenylbenzene
• 4-Propenylguaiacol
• Isoeugenol
• Isoeugenol (I)
• Isoeugenol (II)
• Isoeugenol,c&t
• NCI-C60979
• NSC 6769
• Phenol, 2-methoxy-4-(1-propen-1-yl)-
• Phenol, 2-methoxy-4-propenyl-
• Propenyl guaiacol
• o-Eugenol, isomer

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (kJ/mol).
• 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).
• P_vap : Vapor 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
ΔfG°	-43.30	kJ/mol	Joback Calculated Property
ΔfH°gas	-216.98	kJ/mol	Joback Calculated Property
ΔfusH°	22.48	kJ/mol	Joback Calculated Property
ΔvapH°	56.17	kJ/mol	Joback Calculated Property
log10WS	-2.38		Crippen Calculated Property
logPoct/wat	2.434		Crippen Calculated Property
McVol	135.440	ml/mol	McGowan Calculated Property
Pc	3551.53	kPa	Joback Calculated Property
Inp	[1396.00; 1474.00]
Inp	1436.30		NIST
Inp	1447.00		NIST
Inp	1459.40		NIST
Inp	1448.00		NIST
Inp	1397.00		NIST
Inp	1428.00		NIST
Inp	1439.00		NIST
Inp	1403.00		NIST
Inp	1414.80		NIST
Inp	1452.00		NIST
Inp	1468.00		NIST
Inp	1465.00		NIST
Inp	1466.00		NIST
Inp	1468.00		NIST
Inp	1474.00		NIST
Inp	1471.00		NIST
Inp	1452.00		NIST
Inp	1404.00		NIST
Inp	1436.00		NIST
Inp	1415.00		NIST
Inp	1396.00		NIST
Inp	1457.00		NIST
Inp	1405.00		NIST
Inp	1430.00		NIST
Inp	1403.00		NIST
Inp	1438.00		NIST
Inp	1420.00		NIST
Inp	1435.00		NIST
Inp	1429.00		NIST
Inp	1410.00		NIST
Inp	1427.00		NIST
Inp	1402.00		NIST
Inp	1408.00		NIST
Inp	1451.00		NIST
Inp	1404.00		NIST
Inp	1460.00		NIST
Inp	1451.00		NIST
Inp	1451.00		NIST
Inp	1456.00		NIST
Inp	1454.00		NIST
Inp	1422.00		NIST
Inp	1460.00		NIST
Inp	1438.00		NIST
Inp	1436.30		NIST
Inp	1428.00		NIST
Inp	1403.00		NIST
I	[2266.00; 2356.00]
I	2350.00		NIST
I	2336.00		NIST
I	2319.00		NIST
I	2356.00		NIST
I	2271.00		NIST
I	2330.00		NIST
I	2268.00		NIST
I	2322.00		NIST
I	2316.00		NIST
I	2332.00		NIST
I	2266.00		NIST
I	2279.00		NIST
I	2271.00		NIST
I	2326.00		NIST
I	2352.00		NIST
I	2338.00		NIST
I	2269.00		NIST
I	2308.00		NIST
I	2304.00		NIST
I	2330.00		NIST
I	2299.00		NIST
I	2269.00		NIST
I	2330.00		NIST
I	2266.00		NIST
I	2338.00		NIST
Tboil	526.65 ± 2.00	K	NIST
Tc	793.89	K	Joback Calculated Property
Tfus	370.27	K	Joback Calculated Property
Vc	0.452	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[315.41; 379.83]	J/mol×K	[567.06; 793.89]
Cp,gas	315.41	J/mol×K	567.06	Joback Calculated Property
Cp,gas	327.96	J/mol×K	604.87	Joback Calculated Property
Cp,gas	339.68	J/mol×K	642.67	Joback Calculated Property
Cp,gas	350.65	J/mol×K	680.48	Joback Calculated Property
Cp,gas	360.95	J/mol×K	718.28	Joback Calculated Property
Cp,gas	370.65	J/mol×K	756.09	Joback Calculated Property
Cp,gas	379.83	J/mol×K	793.89	Joback Calculated Property
η	[0.0000332; 0.0012214]	Pa×s	[370.27; 567.06]
η	0.0012214	Pa×s	370.27	Joback Calculated Property
η	0.0005246	Pa×s	403.07	Joback Calculated Property
η	0.0002559	Pa×s	435.87	Joback Calculated Property
η	0.0001380	Pa×s	468.67	Joback Calculated Property
η	0.0000807	Pa×s	501.46	Joback Calculated Property
η	0.0000504	Pa×s	534.26	Joback Calculated Property
η	0.0000332	Pa×s	567.06	Joback Calculated Property
ΔvapH	60.70	kJ/mol	449.50	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.01; 202.66]	kPa	[398.15; 576.08]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.80200e+01
Coefficient B			-7.68048e+03
Coefficient C			2.82770e+01
Temperature range, min.			398.15
Temperature range, max.			576.08
Pvap	1.01	kPa	398.15	Calculated Property
Pvap	2.24	kPa	417.92	Calculated Property
Pvap	4.65	kPa	437.69	Calculated Property
Pvap	9.10	kPa	457.46	Calculated Property
Pvap	16.88	kPa	477.23	Calculated Property
Pvap	29.91	kPa	497.00	Calculated Property
Pvap	50.84	kPa	516.77	Calculated Property
Pvap	83.25	kPa	536.54	Calculated Property
Pvap	131.86	kPa	556.31	Calculated Property
Pvap	202.66	kPa	576.08	Calculated Property

Similar Compounds

Find more compounds similar to Phenol, 2-methoxy-4-(1-propenyl)-.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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