Chemical Properties of 2-Hydroxy-3-pentanone (CAS 5704-20-1)

InChI

InChI=1S/C5H10O2/c1-3-5(7)4(2)6/h4,6H,3H2,1-2H3

InChI Key

QMXCHEVUAIPIRM-UHFFFAOYSA-N

Formula

C5H10O2

SMILES

CCC(=O)C(C)O

Molecular Weight¹

102.13

CAS

5704-20-1

Other Names

• 3-Pentanone, 2-hydroxy-
• 3-Pentanon-2-ol

• 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).
• 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°	-276.96	kJ/mol	Joback Calculated Property
ΔfH°gas	-416.62	kJ/mol	Joback Calculated Property
ΔfusH°	10.87	kJ/mol	Joback Calculated Property
ΔvapH°	49.76	kJ/mol	Joback Calculated Property
log10WS	-0.57		Crippen Calculated Property
logPoct/wat	0.346		Crippen Calculated Property
McVol	88.750	ml/mol	McGowan Calculated Property
Pc	4244.08	kPa	Joback Calculated Property
Inp	[777.00; 821.00]
Inp	787.00		NIST
Inp	821.00		NIST
Inp	777.00		NIST
Inp	777.00		NIST
Inp	787.00		NIST
Inp	821.00		NIST
I	[1351.00; 1396.00]
I	1361.00		NIST
I	1355.00		NIST
I	Outlier 1396.00		NIST
I	1386.00		NIST
I	1351.00		NIST
I	1380.00		NIST
I	1351.00		NIST
I	1368.00		NIST
I	1370.00		NIST
I	1366.00		NIST
I	1364.00		NIST
I	1361.00		NIST
I	1351.00		NIST
I	1366.00		NIST
I	1386.00		NIST
Tboil	459.41	K	Joback Calculated Property
Tc	635.76	K	Joback Calculated Property
Tfus	241.86	K	Joback Calculated Property
Vc	0.335	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[183.94; 227.44]	J/mol×K	[459.41; 635.76]
Cp,gas	183.94	J/mol×K	459.41	Joback Calculated Property
Cp,gas	191.99	J/mol×K	488.80	Joback Calculated Property
Cp,gas	199.72	J/mol×K	518.19	Joback Calculated Property
Cp,gas	207.12	J/mol×K	547.58	Joback Calculated Property
Cp,gas	214.20	J/mol×K	576.97	Joback Calculated Property
Cp,gas	220.97	J/mol×K	606.37	Joback Calculated Property
Cp,gas	227.44	J/mol×K	635.76	Joback Calculated Property
η	[0.0002315; 0.0540168]	Pa×s	[241.86; 459.41]
η	0.0540168	Pa×s	241.86	Joback Calculated Property
η	0.0120393	Pa×s	278.12	Joback Calculated Property
η	0.0037936	Pa×s	314.38	Joback Calculated Property
η	0.0015179	Pa×s	350.63	Joback Calculated Property
η	0.0007211	Pa×s	386.89	Joback Calculated Property
η	0.0003892	Pa×s	423.15	Joback Calculated Property
η	0.0002315	Pa×s	459.41	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-Hydroxy-3-pentanone.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.