Chemical Properties of 1-phenylpropane-1,2-diol (CAS 1855-09-0)

InChI

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

InChI Key

MZQZXSHFWDHNOW-UHFFFAOYSA-N

Formula

C9H12O2

SMILES

CC(O)C(O)c1ccccc1

Molecular Weight¹

152.19

CAS

1855-09-0

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[163.52; 403.54]	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			-3.19800e+01
Coefficient B			8.59720e-01
Coefficient C			-5.64200e-04
Coefficient D			1.40000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	163.52	J/mol×K	273.00	Calculated Property
Cp,gas	207.75	J/mol×K	353.78	Calculated Property
Cp,gas	246.56	J/mol×K	434.56	Calculated Property
Cp,gas	280.39	J/mol×K	515.33	Calculated Property
Cp,gas	309.68	J/mol×K	596.11	Calculated Property
Cp,gas	334.87	J/mol×K	676.89	Calculated Property
Cp,gas	356.41	J/mol×K	757.67	Calculated Property
Cp,gas	374.74	J/mol×K	838.44	Calculated Property
Cp,gas	390.30	J/mol×K	919.22	Calculated Property
Cp,gas	403.54	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0489968; 0.0000500]	Pa×s	[309.25; 564.89]	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			-1.82339e+01
Coefficient B			4.70612e+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.			309.25
Temperature range, max.			564.89
η	0.0489968	Pa×s	309.25	Calculated Property
η	0.0136205	Pa×s	337.65	Calculated Property
η	0.0046185	Pa×s	366.06	Calculated Property
η	0.0018300	Pa×s	394.46	Calculated Property
η	0.0008211	Pa×s	422.87	Calculated Property
η	0.0004076	Pa×s	451.27	Calculated Property
η	0.0002198	Pa×s	479.68	Calculated Property
η	0.0001270	Pa×s	508.08	Calculated Property
η	0.0000778	Pa×s	536.49	Calculated Property
η	0.0000500	Pa×s	564.89	Calculated Property

Similar Compounds

Find more compounds similar to 1-phenylpropane-1,2-diol.

Sources

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

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