Chemical Properties of Benzenemethanol, «alpha»-2-propenyl- (CAS 936-58-3)

InChI

InChI=1S/C10H12O/c1-2-6-10(11)9-7-4-3-5-8-9/h2-5,7-8,10-11H,1,6H2

InChI Key

RGKVZBXSJFAZRE-UHFFFAOYSA-N

Formula

C10H12O

SMILES

C=CCC(O)c1ccccc1

Molecular Weight¹

148.20

CAS

936-58-3

Other Names

• 1-Phenyl-but-3-en-1-ol
• «alpha»-2-Propenyl-benzenmethanol

• 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).
• 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 : 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°	14.98	kJ/mol	Joback Calculated Property
ΔvapH°	71.04	kJ/mol	Relay (1.0) Calculated Property
IE	8.91	eV	Relay (1.0) Calculated Property
log10WS	-1.19		Relay (1.0) Calculated Property
logPoct/wat	2.296		Crippen Calculated Property
McVol	129.570	ml/mol	McGowan Calculated Property
I	[1869.00; 1869.00]
I	1869.00		NIST
I	1869.00		NIST
Tboil	481.36	K	Relay (1.0) Calculated Property
Tfus	277.11	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 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	[162.74; 407.41]	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			-3.94890e+01
Coefficient B			8.94800e-01
Coefficient C			-6.07900e-04
Coefficient D			1.60000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	162.74	J/mol×K	273.00	Calculated Property
Cp,gas	208.07	J/mol×K	353.78	Calculated Property
Cp,gas	247.69	J/mol×K	434.56	Calculated Property
Cp,gas	282.09	J/mol×K	515.33	Calculated Property
Cp,gas	311.79	J/mol×K	596.11	Calculated Property
Cp,gas	337.29	J/mol×K	676.89	Calculated Property
Cp,gas	359.09	J/mol×K	757.67	Calculated Property
Cp,gas	377.71	J/mol×K	838.44	Calculated Property
Cp,gas	393.65	J/mol×K	919.22	Calculated Property
Cp,gas	407.41	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0237151; 0.0001319]	Pa×s	[272.94; 520.73]	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			-1.46514e+01
Coefficient B			2.97771e+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.			272.94
Temperature range, max.			520.73
η	0.0237151	Pa×s	272.94	Calculated Property
η	0.0087272	Pa×s	300.47	Calculated Property
η	0.0037985	Pa×s	328.01	Calculated Property
η	0.0018806	Pa×s	355.54	Calculated Property
η	0.0010301	Pa×s	383.07	Calculated Property
η	0.0006116	Pa×s	410.60	Calculated Property
η	0.0003878	Pa×s	438.14	Calculated Property
η	0.0002595	Pa×s	465.67	Calculated Property
η	0.0001816	Pa×s	493.20	Calculated Property
η	0.0001319	Pa×s	520.73	Calculated Property

Similar Compounds

Find more compounds similar to Benzenemethanol, «alpha»-2-propenyl-.

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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