Chemical Properties of (.+/-.)-Eldanolide (CAS 92843-42-0)

InChI

InChI=1S/C10H16O2/c1-7(2)4-5-9-8(3)6-10(11)12-9/h4,8-9H,5-6H2,1-3H3

InChI Key

ARNPQYFYGKMXGD-UHFFFAOYSA-N

Formula

C10H16O2

SMILES

CC(C)=CCC1OC(=O)CC1C

Molecular Weight¹

168.23

CAS

92843-42-0

• 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°	-74.88	kJ/mol	Joback Calculated Property
ΔfH°gas	-371.86	kJ/mol	Joback Calculated Property
ΔfusH°	23.04	kJ/mol	Joback Calculated Property
ΔvapH°	46.60	kJ/mol	Joback Calculated Property
log10WS	-2.49		Crippen Calculated Property
logPoct/wat	2.294		Crippen Calculated Property
McVol	144.040	ml/mol	McGowan Calculated Property
Pc	2635.25	kPa	Joback Calculated Property
Inp	[1421.50; 1421.50]
Inp	1421.50		NIST
Inp	1421.50		NIST
Tboil	537.62	K	Joback Calculated Property
Tc	755.33	K	Joback Calculated Property
Tfus	284.87	K	Joback Calculated Property
Vc	0.544	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[352.84; 444.95]	J/mol×K	[537.62; 755.33]
Cp,gas	352.84	J/mol×K	537.62	Joback Calculated Property
Cp,gas	370.38	J/mol×K	573.91	Joback Calculated Property
Cp,gas	387.04	J/mol×K	610.19	Joback Calculated Property
Cp,gas	402.80	J/mol×K	646.48	Joback Calculated Property
Cp,gas	417.70	J/mol×K	682.76	Joback Calculated Property
Cp,gas	431.75	J/mol×K	719.05	Joback Calculated Property
Cp,gas	444.95	J/mol×K	755.33	Joback Calculated Property

Similar Compounds

Find more compounds similar to (.+/-.)-Eldanolide.

Sources

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

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