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_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).
• IE : Ionization energy (eV).
• 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).
• 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
ΔfH°gas	-255.04	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	9.04	kJ/mol	Joback Calculated Property
ΔvapH°	60.77	kJ/mol	Relay (1.0) Calculated Property
IE	9.12	eV	Relay (1.0) Calculated Property
log10WS	-2.94		Relay (1.0) 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	508.42	K	Relay (1.0) Calculated Property
Tc	764.08	K	Relay (1.0) Calculated Property
Tfus	305.07	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[157.54; 500.96]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-9.07400e+01
Coefficient B			1.04890e+00
Coefficient C			-5.31000e-04
Coefficient D			7.38000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	157.54	J/mol×K	273.00	Calculated Property
Cp,gas	217.15	J/mol×K	353.78	Calculated Property
Cp,gas	270.85	J/mol×K	434.56	Calculated Property
Cp,gas	318.88	J/mol×K	515.33	Calculated Property
Cp,gas	361.46	J/mol×K	596.11	Calculated Property
Cp,gas	398.84	J/mol×K	676.89	Calculated Property
Cp,gas	431.25	J/mol×K	757.67	Calculated Property
Cp,gas	458.92	J/mol×K	838.44	Calculated Property
Cp,gas	482.07	J/mol×K	919.22	Calculated Property
Cp,gas	500.96	J/mol×K	1000.00	Calculated Property

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
These property values are available through the Cheméo API. A free account gives you an access key.