Chemical Properties of 1,3-Propanediol, 2-(hydroxymethyl)- (CAS 4704-94-3)

InChI

InChI=1S/C4H10O3/c5-1-4(2-6)3-7/h4-7H,1-3H2

InChI Key

SFRDXVJWXWOTEW-UHFFFAOYSA-N

Formula

C4H10O3

SMILES

OCC(CO)CO

Molecular Weight¹

106.12

CAS

4704-94-3

Other Names

• Propane, 1,3-dihydroxy-2-hydroxymethyl-
• 2-(hydroxymethyl)propane-1,3-diol

• 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).
• 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	[127.53; 282.24]	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			1.34430e+01
Coefficient B			4.91700e-01
Coefficient C			-2.88200e-04
Coefficient D			6.53000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	127.53	J/mol×K	273.00	Calculated Property
Cp,gas	154.22	J/mol×K	353.78	Calculated Property
Cp,gas	178.05	J/mol×K	434.56	Calculated Property
Cp,gas	199.23	J/mol×K	515.33	Calculated Property
Cp,gas	217.97	J/mol×K	596.11	Calculated Property
Cp,gas	234.47	J/mol×K	676.89	Calculated Property
Cp,gas	248.95	J/mol×K	757.67	Calculated Property
Cp,gas	261.59	J/mol×K	838.44	Calculated Property
Cp,gas	272.62	J/mol×K	919.22	Calculated Property
Cp,gas	282.24	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.1910150; 0.0000724]	Pa×s	[302.30; 507.87]	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			-2.11184e+01
Coefficient B			5.88367e+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.			302.30
Temperature range, max.			507.87
η	0.1910150	Pa×s	302.30	Calculated Property
η	0.0486702	Pa×s	325.14	Calculated Property
η	0.0148393	Pa×s	347.98	Calculated Property
η	0.0052373	Pa×s	370.82	Calculated Property
η	0.0020859	Pa×s	393.67	Calculated Property
η	0.0009190	Pa×s	416.51	Calculated Property
η	0.0004409	Pa×s	439.35	Calculated Property
η	0.0002275	Pa×s	462.19	Calculated Property
η	0.0001249	Pa×s	485.03	Calculated Property
η	0.0000724	Pa×s	507.87	Calculated Property

Similar Compounds

Find more compounds similar to 1,3-Propanediol, 2-(hydroxymethyl)-.

Sources

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

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