Chemical Properties of cis-octahydronaphthalene-2(1H)-one (CAS 1579-21-1)

InChI

InChI=1S/C10H16O/c11-10-6-5-8-3-1-2-4-9(8)7-10/h8-9H,1-7H2/t8-,9+/m0/s1

InChI Key

LGVJRKCQQHOWAU-DTWKUNHWSA-N

Formula

C10H16O

SMILES

O=C1CCC2CCCCC2C1

Molecular Weight¹

152.23

CAS

1579-21-1

Other Names

• 2(1H)-Naphthalenone, octahydro-, cis-

• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• 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).
• 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
ΔcH°liquid	[-5867.20; -5862.70]	kJ/mol
ΔcH°liquid	-5867.20	kJ/mol	NIST
ΔcH°liquid	-5862.70 ± 4.50	kJ/mol	NIST
ΔfG°	-16.17	kJ/mol	Joback Calculated Property
ΔfH°gas	-266.47	kJ/mol	Joback Calculated Property
ΔfusH°	9.04	kJ/mol	Joback Calculated Property
ΔvapH°	42.62	kJ/mol	Joback Calculated Property
log10WS	-2.59		Crippen Calculated Property
logPoct/wat	2.546		Crippen Calculated Property
McVol	131.610	ml/mol	McGowan Calculated Property
Pc	3145.56	kPa	Joback Calculated Property
Tboil	526.58	K	Joback Calculated Property
Tc	766.02	K	Joback Calculated Property
Tfus	292.48	K	Joback Calculated Property
Vc	0.484	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[325.13; 434.33]	J/mol×K	[526.58; 766.02]
Cp,gas	325.13	J/mol×K	526.58	Joback Calculated Property
Cp,gas	346.46	J/mol×K	566.49	Joback Calculated Property
Cp,gas	366.51	J/mol×K	606.39	Joback Calculated Property
Cp,gas	385.29	J/mol×K	646.30	Joback Calculated Property
Cp,gas	402.83	J/mol×K	686.21	Joback Calculated Property
Cp,gas	419.17	J/mol×K	726.11	Joback Calculated Property
Cp,gas	434.33	J/mol×K	766.02	Joback Calculated Property

Similar Compounds

Find more compounds similar to cis-octahydronaphthalene-2(1H)-one.

Sources

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

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