Chemical Properties of [4,4,6,6,6-2H5]Mevalonic Acid Lactone

InChI

InChI=1S/C6H10O3/c1-6(8)2-3-9-5(7)4-6/h8H,2-4H2,1H3/t6-/m1/s1/i1D3,2D2

InChI Key

JYVXNLLUYHCIIH-WBKASDIDSA-N

Formula

C6H5D5O3

SMILES

CC1(O)CCOC(=O)C1

Molecular Weight¹

135.17

• 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°	-326.93	kJ/mol	Joback Calculated Property
ΔfH°gas	-519.54	kJ/mol	Joback Calculated Property
ΔfusH°	8.41	kJ/mol	Joback Calculated Property
ΔvapH°	53.66	kJ/mol	Joback Calculated Property
log10WS	-0.47		Crippen Calculated Property
logPoct/wat	0.074		Crippen Calculated Property
McVol	97.850	ml/mol	McGowan Calculated Property
Pc	4917.69	kPa	Joback Calculated Property
Inp	[1385.00; 1385.00]
Inp	1385.00		NIST
Inp	1385.00		NIST
Tboil	543.42	K	Joback Calculated Property
Tc	761.96	K	Joback Calculated Property
Tfus	344.27	K	Joback Calculated Property
Vc	0.349	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[240.76; 302.30]	J/mol×K	[543.42; 761.96]
Cp,gas	240.76	J/mol×K	543.42	Joback Calculated Property
Cp,gas	252.38	J/mol×K	579.84	Joback Calculated Property
Cp,gas	263.36	J/mol×K	616.27	Joback Calculated Property
Cp,gas	273.77	J/mol×K	652.69	Joback Calculated Property
Cp,gas	283.68	J/mol×K	689.11	Joback Calculated Property
Cp,gas	293.16	J/mol×K	725.54	Joback Calculated Property
Cp,gas	302.30	J/mol×K	761.96	Joback Calculated Property

Similar Compounds

Find more compounds similar to [4,4,6,6,6-2H5]Mevalonic Acid Lactone.

Sources

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

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