Chemical Properties of Cyclopentaneacetic acid, 2-(hydroxymethyl)-3-methyl-, «delta»-lactone (CAS 105181-38-2)

InChI

InChI=1S/C9H14O2/c1-6-2-3-7-4-9(10)11-5-8(6)7/h6-8H,2-5H2,1H3

InChI Key

VGWJUWSHYRJZKH-UHFFFAOYSA-N

Formula

C9H14O2

SMILES

CC1CCC2CC(=O)OCC12

Molecular Weight¹

154.21

CAS

105181-38-2

Other Names

• 7-Methylhexahydrocyclopenta[c]pyran-3(1H)-one

• 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°	-106.32	kJ/mol	Joback Calculated Property
ΔfH°gas	-392.01	kJ/mol	Joback Calculated Property
ΔfusH°	17.60	kJ/mol	Joback Calculated Property
ΔvapH°	44.42	kJ/mol	Joback Calculated Property
log10WS	-1.52		Crippen Calculated Property
logPoct/wat	1.596		Crippen Calculated Property
McVol	123.390	ml/mol	McGowan Calculated Property
Pc	3250.43	kPa	Joback Calculated Property
Inp	[1443.50; 1443.50]
Inp	1443.50		NIST
Inp	1443.50		NIST
Tboil	521.71	K	Joback Calculated Property
Tc	754.16	K	Joback Calculated Property
Tfus	307.06	K	Joback Calculated Property
Vc	0.457	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[310.14; 408.45]	J/mol×K	[521.71; 754.16]
Cp,gas	310.14	J/mol×K	521.71	Joback Calculated Property
Cp,gas	329.18	J/mol×K	560.45	Joback Calculated Property
Cp,gas	347.13	J/mol×K	599.19	Joback Calculated Property
Cp,gas	364.01	J/mol×K	637.94	Joback Calculated Property
Cp,gas	379.85	J/mol×K	676.68	Joback Calculated Property
Cp,gas	394.65	J/mol×K	715.42	Joback Calculated Property
Cp,gas	408.45	J/mol×K	754.16	Joback Calculated Property

Similar Compounds

Find more compounds similar to Cyclopentaneacetic acid, 2-(hydroxymethyl)-3-methyl-, «delta»-lactone.

Sources

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

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