Chemical Properties of (S)-(+)-1,2-Propanediol (CAS 4254-15-3)

InChI

InChI=1S/C3H8O2/c1-3(5)2-4/h3-5H,2H2,1H3/t3-/m0/s1

InChI Key

DNIAPMSPPWPWGF-VKHMYHEASA-N

Formula

C3H8O2

SMILES

C[C@H](O)CO

Molecular Weight¹

76.09

CAS

4254-15-3

Other Names

• (+)-(S)-1,2-propanediol
• (+)-1,2-propanediol
• (S)-1,2-propanediol
• (S)-Propylene glycol
• 1,2-(S)-propanediol
• 1,2-Propanediol, (S)-
• 1,2-propanediol, (S)-(+)-
• 3-deoxy-sn-glycerol
• L(+)-propanediol
• L-(+)-1,2-propanediol
• L-(+)-propylene glycol
• L-1,2-propanediol
• S(+)-propane-1,2-diol
• S-(+)-Propylene glycol
• d-propylene glycol
• propylene glycol, (S)-(+)-

• 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_fusH : Enthalpy of fusion at a given temperature (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).
• P_vap : Vapor pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (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

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
ΔfusH	8.40	kJ/mol	240.00	NIST
Pvap	[4.27e-03; 0.37]	kPa	[283.50; 338.40]
Pvap	4.27e-03	kPa	283.50	1,2-Propanediol. Comprehensive experimental and theoretical study
Pvap	6.85e-03	kPa	288.20	1,2-Propanediol. Comprehensive experimental and theoretical study
Pvap	0.01	kPa	293.50	1,2-Propanediol. Comprehensive experimental and theoretical study
Pvap	9.68e-03	kPa	293.50	1,2-Propanediol. Comprehensive experimental and theoretical study
Pvap	0.01	kPa	297.40	1,2-Propanediol. Comprehensive experimental and theoretical study
Pvap	0.02	kPa	298.20	1,2-Propanediol. Comprehensive experimental and theoretical study
Pvap	0.02	kPa	298.40	1,2-Propanediol. Comprehensive experimental and theoretical study
Pvap	0.03	kPa	301.30	1,2-Propanediol. Comprehensive experimental and theoretical study
Pvap	0.02	kPa	301.40	1,2-Propanediol. Comprehensive experimental and theoretical study
Pvap	0.02	kPa	303.30	1,2-Propanediol. Comprehensive experimental and theoretical study
Pvap	0.03	kPa	303.40	1,2-Propanediol. Comprehensive experimental and theoretical study
Pvap	0.03	kPa	305.40	1,2-Propanediol. Comprehensive experimental and theoretical study
Pvap	0.04	kPa	306.30	1,2-Propanediol. Comprehensive experimental and theoretical study
Pvap	0.04	kPa	306.40	1,2-Propanediol. Comprehensive experimental and theoretical study
Pvap	0.05	kPa	309.30	1,2-Propanediol. Comprehensive experimental and theoretical study
Pvap	0.05	kPa	310.40	1,2-Propanediol. Comprehensive experimental and theoretical study
Pvap	0.04	kPa	310.40	1,2-Propanediol. Comprehensive experimental and theoretical study
Pvap	0.04	kPa	310.40	1,2-Propanediol. Comprehensive experimental and theoretical study
Pvap	0.06	kPa	312.30	1,2-Propanediol. Comprehensive experimental and theoretical study
Pvap	0.06	kPa	312.30	1,2-Propanediol. Comprehensive experimental and theoretical study
Pvap	0.07	kPa	313.20	1,2-Propanediol. Comprehensive experimental and theoretical study
Pvap	0.07	kPa	313.30	1,2-Propanediol. Comprehensive experimental and theoretical study
Pvap	0.05	kPa	313.40	1,2-Propanediol. Comprehensive experimental and theoretical study
Pvap	0.07	kPa	315.40	1,2-Propanediol. Comprehensive experimental and theoretical study
Pvap	0.09	kPa	316.20	1,2-Propanediol. Comprehensive experimental and theoretical study
Pvap	0.09	kPa	316.30	1,2-Propanediol. Comprehensive experimental and theoretical study
Pvap	0.09	kPa	316.30	1,2-Propanediol. Comprehensive experimental and theoretical study
Pvap	0.10	kPa	318.30	1,2-Propanediol. Comprehensive experimental and theoretical study
Pvap	0.09	kPa	318.40	1,2-Propanediol. Comprehensive experimental and theoretical study
Pvap	0.11	kPa	319.30	1,2-Propanediol. Comprehensive experimental and theoretical study
Pvap	0.12	kPa	320.40	1,2-Propanediol. Comprehensive experimental and theoretical study
Pvap	0.10	kPa	320.40	1,2-Propanediol. Comprehensive experimental and theoretical study
Pvap	0.10	kPa	320.50	1,2-Propanediol. Comprehensive experimental and theoretical study
Pvap	0.13	kPa	321.30	1,2-Propanediol. Comprehensive experimental and theoretical study
Pvap	0.14	kPa	322.30	1,2-Propanediol. Comprehensive experimental and theoretical study
Pvap	0.14	kPa	322.50	1,2-Propanediol. Comprehensive experimental and theoretical study
Pvap	0.13	kPa	323.40	1,2-Propanediol. Comprehensive experimental and theoretical study
Pvap	0.16	kPa	323.50	1,2-Propanediol. Comprehensive experimental and theoretical study
Pvap	0.13	kPa	323.50	1,2-Propanediol. Comprehensive experimental and theoretical study
Pvap	0.13	kPa	324.50	1,2-Propanediol. Comprehensive experimental and theoretical study
Pvap	0.17	kPa	325.30	1,2-Propanediol. Comprehensive experimental and theoretical study
Pvap	0.14	kPa	325.30	1,2-Propanediol. Comprehensive experimental and theoretical study
Pvap	0.17	kPa	325.40	1,2-Propanediol. Comprehensive experimental and theoretical study
Pvap	0.18	kPa	326.40	1,2-Propanediol. Comprehensive experimental and theoretical study
Pvap	0.15	kPa	326.50	1,2-Propanediol. Comprehensive experimental and theoretical study
Pvap	0.17	kPa	327.30	1,2-Propanediol. Comprehensive experimental and theoretical study
Pvap	0.20	kPa	327.40	1,2-Propanediol. Comprehensive experimental and theoretical study
Pvap	0.22	kPa	328.30	1,2-Propanediol. Comprehensive experimental and theoretical study
Pvap	0.18	kPa	328.40	1,2-Propanediol. Comprehensive experimental and theoretical study
Pvap	0.18	kPa	328.50	1,2-Propanediol. Comprehensive experimental and theoretical study
Pvap	0.22	kPa	328.60	1,2-Propanediol. Comprehensive experimental and theoretical study
Pvap	0.24	kPa	329.50	1,2-Propanediol. Comprehensive experimental and theoretical study
Pvap	0.28	kPa	331.30	1,2-Propanediol. Comprehensive experimental and theoretical study
Pvap	0.23	kPa	331.40	1,2-Propanediol. Comprehensive experimental and theoretical study
Pvap	0.26	kPa	333.30	1,2-Propanediol. Comprehensive experimental and theoretical study
Pvap	0.30	kPa	335.40	1,2-Propanediol. Comprehensive experimental and theoretical study
Pvap	0.37	kPa	338.40	1,2-Propanediol. Comprehensive experimental and theoretical study

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[93.81; 211.98]	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			9.06100e+00
Coefficient B			3.62720e-01
Coefficient C			-2.03400e-04
Coefficient D			4.36000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	93.81	J/mol×K	273.00	Calculated Property
Cp,gas	113.86	J/mol×K	353.78	Calculated Property
Cp,gas	131.85	J/mol×K	434.56	Calculated Property
Cp,gas	147.93	J/mol×K	515.33	Calculated Property
Cp,gas	162.24	J/mol×K	596.11	Calculated Property
Cp,gas	174.91	J/mol×K	676.89	Calculated Property
Cp,gas	186.08	J/mol×K	757.67	Calculated Property
Cp,gas	195.89	J/mol×K	838.44	Calculated Property
Cp,gas	204.48	J/mol×K	919.22	Calculated Property
Cp,gas	211.98	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.9647802; 0.0002598]	Pa×s	[230.21; 430.25]	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			-1.77150e+01
Coefficient B			4.06992e+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.			230.21
Temperature range, max.			430.25
η	0.9647802	Pa×s	230.21	Calculated Property
η	0.2034137	Pa×s	252.44	Calculated Property
η	0.0551760	Pa×s	274.66	Calculated Property
η	0.0181955	Pa×s	296.89	Calculated Property
η	0.0070031	Pa×s	319.12	Calculated Property
η	0.0030523	Pa×s	341.35	Calculated Property
η	0.0014725	Pa×s	363.57	Calculated Property
η	0.0007726	Pa×s	385.80	Calculated Property
η	0.0004349	Pa×s	408.03	Calculated Property
η	0.0002598	Pa×s	430.25	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[355.11; 484.64]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.64056e+01
Coefficient B			-4.61036e+03
Coefficient C			-6.90720e+01
Temperature range, min.			355.11
Temperature range, max.			484.64
Pvap	1.33	kPa	355.11	Calculated Property
Pvap	2.89	kPa	369.50	Calculated Property
Pvap	5.82	kPa	383.89	Calculated Property
Pvap	11.04	kPa	398.29	Calculated Property
Pvap	19.85	kPa	412.68	Calculated Property
Pvap	34.04	kPa	427.07	Calculated Property
Pvap	55.99	kPa	441.46	Calculated Property
Pvap	88.76	kPa	455.86	Calculated Property
Pvap	136.12	kPa	470.25	Calculated Property
Pvap	202.66	kPa	484.64	Calculated Property

Similar Compounds

Find more compounds similar to (S)-(+)-1,2-Propanediol.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• 1,2-Propanediol. Comprehensive experimental and theoretical study
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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