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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[292.95; 355.62]	J/mol×K	[543.50; 743.90]
Cp,gas	292.95	J/mol×K	543.50	Joback Calculated Property
Cp,gas	305.12	J/mol×K	576.90	Joback Calculated Property
Cp,gas	316.56	J/mol×K	610.30	Joback Calculated Property
Cp,gas	327.29	J/mol×K	643.70	Joback Calculated Property
Cp,gas	337.35	J/mol×K	677.10	Joback Calculated Property
Cp,gas	346.78	J/mol×K	710.50	Joback Calculated Property
Cp,gas	355.62	J/mol×K	743.90	Joback Calculated Property
η	[0.0001038; 0.0237151]	Pa×s	[272.94; 543.50]
η	0.0237151	Pa×s	272.94	Joback Calculated Property
η	0.0050492	Pa×s	318.03	Joback Calculated Property
η	0.0015786	Pa×s	363.13	Joback Calculated Property
η	0.0006381	Pa×s	408.22	Joback Calculated Property
η	0.0003089	Pa×s	453.31	Joback Calculated Property
η	0.0001705	Pa×s	498.41	Joback Calculated Property
η	0.0001038	Pa×s	543.50	Joback 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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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