Chemical Properties of 1,2,3-Butanetriol

InChI

InChI=1S/C4H10O3/c1-3(6)4(7)2-5/h3-7H,2H2,1H3

InChI Key

YAXKTBLXMTYWDQ-UHFFFAOYSA-N

Formula

C4H10O3

SMILES

CC(O)C(O)CO

Molecular Weight¹

106.12

Other Names

• butane-1,2,3-triol

• 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).
• 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).
• P_vap : Vapor 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

Temperature Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[127.21; 282.78]	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			1.17610e+01
Coefficient B			4.97620e-01
Coefficient C			-2.91400e-04
Coefficient D			6.48000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	127.21	J/mol×K	273.00	Calculated Property
Cp,gas	154.21	J/mol×K	353.78	Calculated Property
Cp,gas	178.29	J/mol×K	434.56	Calculated Property
Cp,gas	199.68	J/mol×K	515.33	Calculated Property
Cp,gas	218.58	J/mol×K	596.11	Calculated Property
Cp,gas	235.18	J/mol×K	676.89	Calculated Property
Cp,gas	249.69	J/mol×K	757.67	Calculated Property
Cp,gas	262.33	J/mol×K	838.44	Calculated Property
Cp,gas	273.29	J/mol×K	919.22	Calculated Property
Cp,gas	282.78	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.5264520; 0.0000660]	Pa×s	[287.30; 509.29]	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			-2.12524e+01
Coefficient B			5.92149e+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.			287.30
Temperature range, max.			509.29
η	0.5264520	Pa×s	287.30	Calculated Property
η	0.1031880	Pa×s	311.97	Calculated Property
η	0.0256811	Pa×s	336.63	Calculated Property
η	0.0077281	Pa×s	361.30	Calculated Property
η	0.0027114	Pa×s	385.96	Calculated Property
η	0.0010788	Pa×s	410.63	Calculated Property
η	0.0004765	Pa×s	435.29	Calculated Property
η	0.0002298	Pa×s	459.96	Calculated Property
η	0.0001193	Pa×s	484.63	Calculated Property
η	0.0000660	Pa×s	509.29	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[0.13; 99.01]	kPa	[375.00; 537.00]	NIST
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			2.01847e+01
Coefficient B			-8.47639e+03
Coefficient C			6.72700e+00
Reference			Stull, 1947
Comment			Coefficents calculated by NIST from author's data.
Temperature range, min.			375.00
Temperature range, max.			537.00
Pvap	0.13	kPa	375.00	Calculated Property
Pvap	0.36	kPa	393.00	Calculated Property
Pvap	0.90	kPa	411.00	Calculated Property
Pvap	2.08	kPa	429.00	Calculated Property
Pvap	4.50	kPa	447.00	Calculated Property
Pvap	9.17	kPa	465.00	Calculated Property
Pvap	17.75	kPa	483.00	Calculated Property
Pvap	32.78	kPa	501.00	Calculated Property
Pvap	58.06	kPa	519.00	Calculated Property
Pvap	99.01	kPa	537.00	Calculated Property

Similar Compounds

Find more compounds similar to 1,2,3-Butanetriol.

Sources

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

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