Chemical Properties of 2(1H)-Naphthalenone, 3,4-dihydro- (CAS 530-93-8)

InChI

InChI=1S/C10H10O/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-4H,5-7H2

InChI Key

KCKZIWSINLBROE-UHFFFAOYSA-N

Formula

C10H10O

SMILES

O=C1CCc2ccccc2C1

Molecular Weight¹

146.19

CAS

530-93-8

Other Names

• .beta.-tetralone
• 1,2,3,4-Tetrahydro-2-naphthalenone
• 1,2,3,4-tetrahydronaphthalen-2-one
• 2-Tetralone
• 3,4-Dihydro-2(1H)naphthalenone
• 3,4-dihydro-2(1H)-naphthalenone
• «beta»-Tetralone

• ω : Acentric Factor.
• 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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (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
ω	0.4169		Relay (1.0) Calculated Property
ΔfG°	69.87	kJ/mol	Joback Calculated Property
ΔfH°gas	-26.38	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	9.78	kJ/mol	Joback Calculated Property
ΔvapH°	61.94	kJ/mol	Relay (1.0) Calculated Property
IE	8.56	eV	Relay (1.0) Calculated Property
log10WS	-1.69		Relay (1.0) Calculated Property
logPoct/wat	1.744		Crippen Calculated Property
McVol	118.710	ml/mol	McGowan Calculated Property
Pc	3722.56	kPa	Joback Calculated Property
Inp	[1503.00; 1503.00]
Inp	1503.00		NIST
Inp	1503.00		NIST
Tboil	530.79	K	Relay (1.0) Calculated Property
Tc	790.07	K	Relay (1.0) Calculated Property
Tfus	322.79	K	Relay (1.0) Calculated Property
Vc	0.419	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Pressure Dependent Properties

Property	Value	Unit	Pressure (kPa)	Source
Tboilr	[404.20; 411.20]	K	[1.50; 2.10]
Tboilr	404.20	K	1.50	NIST
Tboilr	411.20	K	2.10	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[138.68; 387.66]	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			-5.06800e+01
Coefficient B			8.14900e-01
Coefficient C			-4.69560e-04
Coefficient D			9.30000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	138.68	J/mol×K	273.00	Calculated Property
Cp,gas	182.96	J/mol×K	353.78	Calculated Property
Cp,gas	222.40	J/mol×K	434.56	Calculated Property
Cp,gas	257.29	J/mol×K	515.33	Calculated Property
Cp,gas	287.93	J/mol×K	596.11	Calculated Property
Cp,gas	314.62	J/mol×K	676.89	Calculated Property
Cp,gas	337.64	J/mol×K	757.67	Calculated Property
Cp,gas	357.29	J/mol×K	838.44	Calculated Property
Cp,gas	373.86	J/mol×K	919.22	Calculated Property
Cp,gas	387.66	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 2(1H)-Naphthalenone, 3,4-dihydro-.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Experimental and theoretical thermochemistry of b-tetralone
• Joback Method
• McGowan Method
• NIST Webbook

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