Chemical Properties of (3aS,5S,8S)-3a-Hydroxy-1,5,8-trimethyl-4,5,8,9-tetrahydronaphtho[2,1-b]furan-2,6(3aH,7H)-dione (CAS 1147340-35-9)

InChI

InChI=1S/C15H18O4/c1-7-4-10-12(11(16)5-7)8(2)6-15(18)13(10)9(3)14(17)19-15/h7-8,18H,4-6H2,1-3H3/t7-,8-,15-/m1/s1

InChI Key

GOVDXHQBFLNYLG-KDZIRCDLSA-N

Formula

C15H18O4

SMILES

CC1=C2C3=C(C(=O)CC(C)C3)C(C)CC2(O)OC1=O

Molecular Weight¹

262.30

CAS

1147340-35-9

• 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°	-242.94	kJ/mol	Joback Calculated Property
ΔfH°gas	-633.88	kJ/mol	Joback Calculated Property
ΔfusH°	26.29	kJ/mol	Joback Calculated Property
ΔvapH°	81.17	kJ/mol	Joback Calculated Property
log10WS	-3.02		Crippen Calculated Property
logPoct/wat	1.884		Crippen Calculated Property
McVol	195.910	ml/mol	McGowan Calculated Property
Pc	2608.40	kPa	Joback Calculated Property
Inp	[1904.40; 1904.40]
Inp	1904.40		NIST
Inp	1904.40		NIST
Tboil	853.15	K	Joback Calculated Property
Tc	1089.51	K	Joback Calculated Property
Tfus	597.88	K	Joback Calculated Property
Vc	0.739	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[648.73; 743.49]	J/mol×K	[853.15; 1089.51]
Cp,gas	648.73	J/mol×K	853.15	Joback Calculated Property
Cp,gas	665.35	J/mol×K	892.54	Joback Calculated Property
Cp,gas	681.48	J/mol×K	931.94	Joback Calculated Property
Cp,gas	697.23	J/mol×K	971.33	Joback Calculated Property
Cp,gas	712.74	J/mol×K	1010.72	Joback Calculated Property
Cp,gas	728.12	J/mol×K	1050.11	Joback Calculated Property
Cp,gas	743.49	J/mol×K	1089.51	Joback Calculated Property

Similar Compounds

Find more compounds similar to (3aS,5S,8S)-3a-Hydroxy-1,5,8-trimethyl-4,5,8,9-tetrahydronaphtho[2,1-b]furan-2,6(3aH,7H)-dione.

Sources

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

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