Chemical Properties of 2(3H)-Furanone, dihydro-5-methyl- (CAS 108-29-2)

InChI

InChI=1S/C5H8O2/c1-4-2-3-5(6)7-4/h4H,2-3H2,1H3

InChI Key

GAEKPEKOJKCEMS-UHFFFAOYSA-N

Formula

C5H8O2

SMILES

CC1CCC(=O)O1

Molecular Weight¹

100.12

CAS

108-29-2

Other Names

• «gamma»-Methyl-«gamma»-butyrolactone
• «gamma»-Pentalactone
• «gamma»-Valerolactone
• Pentanoic acid, 4-hydroxy-, «gamma»-lactone
• 4-Hydroxypentanoic acid lactone
• 4-Hydroxyvaleric acid lactone
• 4-Methyl-«gamma»-butyrolactone
• 4-Pentanolide
• 4-Valerolactone
• «gamma»-Pentanolactone
• «gamma»-Valerolakton
• Dihydro-5-methyl-2(3H)-furanone
• Valeric acid, 4-hydroxy-, gamma-lactone
• gamma-Valerolactone
• 5-Methyldihydrofuran-2(3H)-one
• 5-methyltetrahydrofuran-2-one
• Dihydro-5-methyl-2-furanone
• (.+/-.)-«gamma»-Valerolactone
• (.+/-.)-4-Methylbutyrolactone
• 5-Methyltetrahydro-2-furanone
• NSC 33700
• Valeric acid, 4-hydroxy-, «gamma»-lactone
• Valerolactone
• 5-Methyldihydro-2(3H)-furanone
• Pentan-4-olide

• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fH°_liquid : Liquid phase 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔcH°liquid	-2649.60 ± 0.80	kJ/mol	NIST
ΔfH°gas	-406.50 ± 1.10	kJ/mol	NIST
ΔfH°liquid	-461.30 ± 1.00	kJ/mol	NIST
ΔfusH°	11.21	kJ/mol	Joback Calculated Property
ΔvapH°	[53.90; 54.80]	kJ/mol
ΔvapH°	53.90 ± 0.20	kJ/mol	NIST
ΔvapH°	54.80 ± 0.40	kJ/mol	NIST
ΔvapH°	54.80	kJ/mol	NIST
ΔvapH°	54.80 ± 0.40	kJ/mol	NIST
logPoct/wat	0.712		Crippen Calculated Property
McVol	77.890	ml/mol	McGowan Calculated Property
Inp	[898.00; 978.00]
Inp	898.00		NIST
Inp	902.00		NIST
Inp	954.00		NIST
Inp	940.00		NIST
Inp	978.00		NIST
Inp	965.00		NIST
Inp	950.00		NIST
Inp	914.00		NIST
Inp	950.00		NIST
Inp	966.00		NIST
Inp	953.00		NIST
Inp	958.00		NIST
Inp	966.00		NIST
Inp	962.00		NIST
Inp	976.00		NIST
Inp	962.30		NIST
Inp	950.00		NIST
Inp	921.00		NIST
Inp	943.00		NIST
Inp	943.00		NIST
Inp	912.00		NIST
Inp	918.00		NIST
Inp	954.00		NIST
Inp	965.00		NIST
Inp	959.00		NIST
Inp	945.00		NIST
Inp	958.00		NIST
Inp	958.00		NIST
Inp	921.00		NIST
Inp	956.00		NIST
Inp	910.00		NIST
Inp	912.00		NIST
Inp	917.00		NIST
Inp	958.00		NIST
Inp	912.00		NIST
Inp	917.00		NIST
Inp	921.00		NIST
Inp	921.00		NIST
Inp	921.00		NIST
Inp	954.00		NIST
Inp	914.00		NIST
I	[1574.00; 1648.00]
I	1619.00		NIST
I	1595.00		NIST
I	1589.00		NIST
I	1589.00		NIST
I	1619.00		NIST
I	1600.00		NIST
I	1590.00		NIST
I	Outlier 1648.00		NIST
I	1629.00		NIST
I	1605.00		NIST
I	1614.00		NIST
I	1626.00		NIST
I	1617.00		NIST
I	1574.00		NIST
I	1600.00		NIST
I	1622.00		NIST
I	1617.00		NIST
I	1617.00		NIST
I	1617.00		NIST
I	1629.00		NIST
I	1574.00		NIST
I	1619.00		NIST
I	1600.00		NIST
Tboil	480.70	K	NIST
Tfus	207.54	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[142.63; 196.25]	J/mol×K	[378.96; 568.85]
Cp,gas	142.63	J/mol×K	378.96	Joback Calculated Property
Cp,gas	152.82	J/mol×K	410.61	Joback Calculated Property
Cp,gas	162.49	J/mol×K	442.26	Joback Calculated Property
Cp,gas	171.65	J/mol×K	473.91	Joback Calculated Property
Cp,gas	180.32	J/mol×K	505.55	Joback Calculated Property
Cp,gas	188.52	J/mol×K	537.20	Joback Calculated Property
Cp,gas	196.25	J/mol×K	568.85	Joback Calculated Property
η	[0.0003719; 0.0015784]	Pa×s	[206.38; 378.96]
η	0.0015784	Pa×s	206.38	Joback Calculated Property
η	0.0010705	Pa×s	235.14	Joback Calculated Property
η	0.0007902	Pa×s	263.91	Joback Calculated Property
η	0.0006191	Pa×s	292.67	Joback Calculated Property
η	0.0005067	Pa×s	321.43	Joback Calculated Property
η	0.0004286	Pa×s	350.20	Joback Calculated Property
η	0.0003719	Pa×s	378.96	Joback Calculated Property
ΔvapH	53.50	kJ/mol	395.00	NIST

Similar Compounds

Find more compounds similar to 2(3H)-Furanone, dihydro-5-methyl-.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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