Chemical Properties of 2,3-Pentanediol (CAS 42027-23-6)

InChI

InChI=1S/C5H12O2/c1-3-5(7)4(2)6/h4-7H,3H2,1-2H3

InChI Key

XLMFDCKSFJWJTP-UHFFFAOYSA-N

Formula

C5H12O2

SMILES

CCC(O)C(C)O

Molecular Weight¹

104.15

CAS

42027-23-6

Other Names

• pentane-2,3-diol

• 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).
• 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).
• I_np : Non-polar retention indices.
• I : 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

Property	Value	Unit	Source
ΔfG°	-287.30	kJ/mol	Joback Calculated Property
ΔfH°gas	-461.55	kJ/mol	Joback Calculated Property
ΔfusH°	9.84	kJ/mol	Joback Calculated Property
ΔvapH°	59.31	kJ/mol	Joback Calculated Property
log10WS	-0.67		Crippen Calculated Property
logPoct/wat	0.138		Crippen Calculated Property
McVol	93.050	ml/mol	McGowan Calculated Property
Pc	4456.32	kPa	Joback Calculated Property
Inp	[810.00; 810.00]
Inp	810.00		NIST
Inp	810.00		NIST
I	[1553.00; 1553.00]
I	1553.00		NIST
I	1553.00		NIST
Tboil	497.28	K	Joback Calculated Property
Tc	661.20	K	Joback Calculated Property
Tfus	237.75	K	Joback Calculated Property
Vc	0.342	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[213.59; 256.38]	J/mol×K	[497.28; 661.20]
Cp,gas	213.59	J/mol×K	497.28	Joback Calculated Property
Cp,gas	221.48	J/mol×K	524.60	Joback Calculated Property
Cp,gas	229.06	J/mol×K	551.92	Joback Calculated Property
Cp,gas	236.33	J/mol×K	579.24	Joback Calculated Property
Cp,gas	243.30	J/mol×K	606.56	Joback Calculated Property
Cp,gas	249.98	J/mol×K	633.88	Joback Calculated Property
Cp,gas	256.38	J/mol×K	661.20	Joback Calculated Property
η	[0.0000920; 1.1462269]	Pa×s	[237.75; 497.28]
η	1.1462269	Pa×s	237.75	Joback Calculated Property
η	0.0710068	Pa×s	281.00	Joback Calculated Property
η	0.0092386	Pa×s	324.26	Joback Calculated Property
η	0.0019427	Pa×s	367.51	Joback Calculated Property
η	0.0005673	Pa×s	410.77	Joback Calculated Property
η	0.0002095	Pa×s	454.02	Joback Calculated Property
η	0.0000920	Pa×s	497.28	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[0.23; 202.67]	kPa	[324.01; 513.94]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.43913e+01
Coefficient B			-4.03801e+03
Coefficient C			-6.92110e+01
Temperature range, min.			324.01
Temperature range, max.			513.94
Pvap	0.23	kPa	324.01	Calculated Property
Pvap	0.78	kPa	345.11	Calculated Property
Pvap	2.22	kPa	366.22	Calculated Property
Pvap	5.46	kPa	387.32	Calculated Property
Pvap	12.03	kPa	408.42	Calculated Property
Pvap	24.15	kPa	429.53	Calculated Property
Pvap	44.90	kPa	450.63	Calculated Property
Pvap	78.22	kPa	471.73	Calculated Property
Pvap	128.93	kPa	492.84	Calculated Property
Pvap	202.67	kPa	513.94	Calculated Property

Similar Compounds

Find more compounds similar to 2,3-Pentanediol.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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