Chemical Properties of 2H-Pyran-2-one, tetrahydro-5,6-dimethyl-, trans- (CAS 24405-16-1)

InChI

InChI=1S/C7H12O2/c1-5-3-4-7(8)9-6(5)2/h5-6H,3-4H2,1-2H3/t5-,6+/m0/s1

InChI Key

HAXARIVGMMVELD-NTSWFWBYSA-N

Formula

C7H12O2

SMILES

CC1CCC(=O)OC1C

Molecular Weight¹

128.17

CAS

24405-16-1

Other Names

• trans-4-Methyl-5-Hydroxyhexanoic acid lactone
• 4-Methyl-5-hexanolide

• 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°	-183.91	kJ/mol	Joback Calculated Property
ΔfH°gas	-423.53	kJ/mol	Joback Calculated Property
ΔfusH°	14.28	kJ/mol	Joback Calculated Property
ΔvapH°	40.05	kJ/mol	Joback Calculated Property
log10WS	-1.38		Crippen Calculated Property
logPoct/wat	1.348		Crippen Calculated Property
McVol	106.070	ml/mol	McGowan Calculated Property
Pc	3493.01	kPa	Joback Calculated Property
Inp	[1133.00; 1133.00]
Inp	1133.00		NIST
Inp	1133.00		NIST
Tboil	469.21	K	Joback Calculated Property
Tc	691.39	K	Joback Calculated Property
Tfus	266.58	K	Joback Calculated Property
Vc	0.388	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[234.42; 318.55]	J/mol×K	[469.21; 691.39]
Cp,gas	234.42	J/mol×K	469.21	Joback Calculated Property
Cp,gas	250.08	J/mol×K	506.24	Joback Calculated Property
Cp,gas	265.11	J/mol×K	543.27	Joback Calculated Property
Cp,gas	279.49	J/mol×K	580.30	Joback Calculated Property
Cp,gas	293.21	J/mol×K	617.33	Joback Calculated Property
Cp,gas	306.23	J/mol×K	654.36	Joback Calculated Property
Cp,gas	318.55	J/mol×K	691.39	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2H-Pyran-2-one, tetrahydro-5,6-dimethyl-, trans-.

Sources

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

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