Chemical Properties of Pentanoic acid, 4-hydroxy-2-propyl, lactone, # 2

InChI

InChI=1S/C8H14O2/c1-3-4-7-5-6(2)10-8(7)9/h6-7H,3-5H2,1-2H3

InChI Key

NMNZFIPBKPDLGC-UHFFFAOYSA-N

Formula

C8H14O2

SMILES

CCCC1CC(C)OC1=O

Molecular Weight¹

142.20

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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.
• 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°	-163.39	kJ/mol	Joback Calculated Property
ΔfH°gas	-438.01	kJ/mol	Joback Calculated Property
ΔfusH°	18.97	kJ/mol	Joback Calculated Property
ΔvapH°	42.11	kJ/mol	Joback Calculated Property
log10WS	-1.80		Crippen Calculated Property
logPoct/wat	1.738		Crippen Calculated Property
McVol	120.160	ml/mol	McGowan Calculated Property
Pc	3042.32	kPa	Joback Calculated Property
Inp	[1132.00; 1132.00]
Inp	1132.00		NIST
Inp	1132.00		NIST
Tboil	487.82	K	Joback Calculated Property
Tc	698.34	K	Joback Calculated Property
Tfus	281.37	K	Joback Calculated Property
Vc	0.452	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[278.47; 363.12]	J/mol×K	[487.82; 698.34]
Cp,gas	278.47	J/mol×K	487.82	Joback Calculated Property
Cp,gas	294.24	J/mol×K	522.91	Joback Calculated Property
Cp,gas	309.36	J/mol×K	557.99	Joback Calculated Property
Cp,gas	323.81	J/mol×K	593.08	Joback Calculated Property
Cp,gas	337.60	J/mol×K	628.17	Joback Calculated Property
Cp,gas	350.70	J/mol×K	663.26	Joback Calculated Property
Cp,gas	363.12	J/mol×K	698.34	Joback Calculated Property

Similar Compounds

Find more compounds similar to Pentanoic acid, 4-hydroxy-2-propyl, lactone, # 2.

Sources

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

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