Chemical Properties of 1-Propanol, 3-phenoxy- (CAS 6180-61-6)

InChI

InChI=1S/C9H12O2/c10-7-4-8-11-9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8H2

InChI Key

AWVDYRFLCAZENH-UHFFFAOYSA-N

Formula

C9H12O2

SMILES

OCCCOc1ccccc1

Molecular Weight¹

152.19

CAS

6180-61-6

Other Names

• 3-Phenoxy-1-propanol
• 3-phenoxypropan-1-ol

• 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).
• 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.
• I_p : 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

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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[167.05; 402.29]	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			-8.40700e+00
Coefficient B			7.50700e-01
Coefficient C			-4.16400e-04
Coefficient D			7.64000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	167.05	J/mol×K	273.00	Calculated Property
Cp,gas	208.44	J/mol×K	353.78	Calculated Property
Cp,gas	245.45	J/mol×K	434.56	Calculated Property
Cp,gas	278.33	J/mol×K	515.33	Calculated Property
Cp,gas	307.31	J/mol×K	596.11	Calculated Property
Cp,gas	332.64	J/mol×K	676.89	Calculated Property
Cp,gas	354.57	J/mol×K	757.67	Calculated Property
Cp,gas	373.32	J/mol×K	838.44	Calculated Property
Cp,gas	389.15	J/mol×K	919.22	Calculated Property
Cp,gas	402.29	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0088520; 0.0001282]	Pa×s	[300.66; 518.20]	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			-1.48149e+01
Coefficient B			3.03298e+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.			300.66
Temperature range, max.			518.20
η	0.0088520	Pa×s	300.66	Calculated Property
η	0.0041787	Pa×s	324.83	Calculated Property
η	0.0021887	Pa×s	349.00	Calculated Property
η	0.0012466	Pa×s	373.17	Calculated Property
η	0.0007603	Pa×s	397.35	Calculated Property
η	0.0004908	Pa×s	421.52	Calculated Property
η	0.0003322	Pa×s	445.69	Calculated Property
η	0.0002341	Pa×s	469.86	Calculated Property
η	0.0001707	Pa×s	494.03	Calculated Property
η	0.0001282	Pa×s	518.20	Calculated Property

Similar Compounds

Find more compounds similar to 1-Propanol, 3-phenoxy-.

Sources

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

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