Chemical Properties of 1-Phenoxypropan-2-ol (CAS 770-35-4)

InChI

InChI=1S/C9H12O2/c1-8(10)7-11-9-5-3-2-4-6-9/h2-6,8,10H,7H2,1H3

InChI Key

IBLKWZIFZMJLFL-UHFFFAOYSA-N

Formula

C9H12O2

SMILES

CC(O)COc1ccccc1

Molecular Weight¹

152.19

CAS

770-35-4

Other Names

• Phenyl-«beta»-hydroxypropyl ether
• 1-Phenoxy-2-propanol
• 2-Propanol, 1-phenoxy-
• Phenoxyisopropanol
• Propylene phenoxetol
• 2-Phenoxy-1-methylethanol
• Propylenephenoxythol
• Propylene glycol 1-phenyl ether

• ω : Acentric Factor.
• 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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.6337		Relay (1.0) Calculated Property
ΔfH°gas	-310.22	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	14.86	kJ/mol	Joback Calculated Property
ΔvapH°	70.18	kJ/mol	Relay (1.0) Calculated Property
IE	8.66	eV	Relay (1.0) Calculated Property
log10WS	-0.87		Relay (1.0) Calculated Property
logPoct/wat	1.446		Crippen Calculated Property
McVol	125.650	ml/mol	McGowan Calculated Property
Pc	3594.25	kPa	Joback Calculated Property
Inp	[1214.80; 1246.40]
Inp	1214.80		NIST
Inp	1246.40		NIST
Inp	1214.80		NIST
Tboil	518.46	K	Relay (1.0) Calculated Property
Tc	717.09	K	Relay (1.0) Calculated Property
Tfus	301.39	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation 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

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[166.74; 402.83]	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			-1.00890e+01
Coefficient B			7.56620e-01
Coefficient C			-4.19600e-04
Coefficient D			7.59000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	166.74	J/mol×K	273.00	Calculated Property
Cp,gas	208.43	J/mol×K	353.78	Calculated Property
Cp,gas	245.70	J/mol×K	434.56	Calculated Property
Cp,gas	278.78	J/mol×K	515.33	Calculated Property
Cp,gas	307.91	J/mol×K	596.11	Calculated Property
Cp,gas	333.35	J/mol×K	676.89	Calculated Property
Cp,gas	355.31	J/mol×K	757.67	Calculated Property
Cp,gas	374.06	J/mol×K	838.44	Calculated Property
Cp,gas	389.82	J/mol×K	919.22	Calculated Property
Cp,gas	402.83	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0150105; 0.0001172]	Pa×s	[285.66; 520.70]	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			-1.49489e+01
Coefficient B			3.07080e+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.			285.66
Temperature range, max.			520.70
η	0.0150105	Pa×s	285.66	Calculated Property
η	0.0061000	Pa×s	311.78	Calculated Property
η	0.0028492	Pa×s	337.89	Calculated Property
η	0.0014844	Pa×s	364.01	Calculated Property
η	0.0008439	Pa×s	390.12	Calculated Property
η	0.0005150	Pa×s	416.24	Calculated Property
η	0.0003332	Pa×s	442.35	Calculated Property
η	0.0002262	Pa×s	468.47	Calculated Property
η	0.0001601	Pa×s	494.59	Calculated Property
η	0.0001172	Pa×s	520.70	Calculated Property

Similar Compounds

Find more compounds similar to 1-Phenoxypropan-2-ol.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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