Chemical Properties of 1,2-Ethanediol, 1-phenyl- (CAS 93-56-1)

InChI

InChI=1S/C8H10O2/c9-6-8(10)7-4-2-1-3-5-7/h1-5,8-10H,6H2

InChI Key

PWMWNFMRSKOCEY-UHFFFAOYSA-N

Formula

C8H10O2

SMILES

OCC(O)c1ccccc1

Molecular Weight¹

138.16

CAS

93-56-1

Other Names

• 1,2-Dihydroxy-1-phenylethane
• 1,2-Dihydroxyethylbenzene
• 1,2-Ethanediol, phenyl-
• 1-Fenyl-1,2-ethandiol
• 1-Phenyl-1,2-ethanediol
• 1-Phenylethylene glycol
• Fenylglycol
• NSC 406601
• Phenyl glycol
• Phenyl-1,2-ethanediol
• Phenylethanediol
• Phenylethylene glycol
• Styrene glycol
• Styrolyl alcohol
• phenylethane-1,2-diol
• «alpha»,«beta»-Dihydroxyethylbenzene

• 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).
• I_np : Non-polar retention indices.
• I_p : 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
ΔfH°gas	-286.66	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	15.17	kJ/mol	Joback Calculated Property
ΔvapH°	90.22	kJ/mol	Relay (1.0) Calculated Property
IE	9.16	eV	Relay (1.0) Calculated Property
log10WS	-0.26		Relay (1.0) Calculated Property
logPoct/wat	0.712		Crippen Calculated Property
McVol	111.560	ml/mol	McGowan Calculated Property
Inp	[1308.10; 1384.00]
Inp	1372.00		NIST
Inp	1308.10		NIST
Inp	1384.00		NIST
Inp	1308.10		NIST
Inp	1372.00		NIST
Inp	1384.00		NIST
Ip	[1735.00; 1735.00]
Ip	1735.00		NIST
Ip	1735.00		NIST
Tboil	546.20	K	NIST
Tfus	[336.00; 341.20]	K
Tfus	340.65	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus	340.15 ± 2.00	K	NIST
Tfus	341.20 ± 2.00	K	NIST
Tfus	338.65 ± 1.00	K	NIST
Tfus	336.00 ± 4.00	K	NIST

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, 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	[142.62; 351.41]	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			-2.93890e+01
Coefficient B			7.58800e-01
Coefficient C			-5.06600e-04
Coefficient D			1.28600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	142.62	J/mol×K	273.00	Calculated Property
Cp,gas	181.35	J/mol×K	353.78	Calculated Property
Cp,gas	215.24	J/mol×K	434.56	Calculated Property
Cp,gas	244.71	J/mol×K	515.33	Calculated Property
Cp,gas	270.16	J/mol×K	596.11	Calculated Property
Cp,gas	292.00	J/mol×K	676.89	Calculated Property
Cp,gas	310.64	J/mol×K	757.67	Calculated Property
Cp,gas	326.49	J/mol×K	838.44	Calculated Property
Cp,gas	339.94	J/mol×K	919.22	Calculated Property
Cp,gas	351.41	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0109149; 0.0000641]	Pa×s	[339.33; 548.27]	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			-1.79975e+01
Coefficient B			4.57414e+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.			339.33
Temperature range, max.			548.27
η	0.0109149	Pa×s	339.33	Calculated Property
η	0.0046041	Pa×s	362.55	Calculated Property
η	0.0021547	Pa×s	385.76	Calculated Property
η	0.0010992	Pa×s	408.98	Calculated Property
η	0.0006028	Pa×s	432.19	Calculated Property
η	0.0003514	Pa×s	455.41	Calculated Property
η	0.0002159	Pa×s	478.62	Calculated Property
η	0.0001388	Pa×s	501.84	Calculated Property
η	0.0000927	Pa×s	525.05	Calculated Property
η	0.0000641	Pa×s	548.27	Calculated Property

Similar Compounds

Find more compounds similar to 1,2-Ethanediol, 1-phenyl-.

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• 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.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
Compiled This icon marks a compiled value or equation: taken from a data compilation such as ChemSep, not from an original measurement report.
These property values are available through the Cheméo API. A free account gives you an access key.