Chemical Properties of 1,1'-Binaphthalene, 3,3',4,4'-tetrahydro- (CAS 5405-96-9)

InChI

InChI=1S/C20H18/c1-3-11-17-15(7-1)9-5-13-19(17)20-14-6-10-16-8-2-4-12-18(16)20/h1-4,7-8,11-14H,5-6,9-10H2

InChI Key

QZIBLSYKUOHZFG-UHFFFAOYSA-N

Formula

C20H18

SMILES

C1=C(C2=CCCc3ccccc32)c2ccccc2CC1

Molecular Weight¹

258.36

CAS

5405-96-9

Other Names

• 1,1'-Binaphthyl, 3,3',4,4'-tetrahydro-
• 3,3',4,4'-Tetrahydro-1,1'-binaphthyl

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	339.32	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	26.45	kJ/mol	Joback Calculated Property
ΔvapH°	102.91	kJ/mol	Relay (1.0) Calculated Property
IE	7.64	eV	Relay (1.0) Calculated Property
log10WS	-6.36		Relay (1.0) Calculated Property
logPoct/wat	5.046		Crippen Calculated Property
McVol	214.820	ml/mol	McGowan Calculated Property
Inp	[2432.00; 2432.00]
Inp	2432.00		NIST
Inp	2432.00		NIST
Tboil	668.78	K	Relay (1.0) Calculated Property
Tc	931.32	K	Relay (1.0) Calculated Property
Tfus	384.25	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Pressure, 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[604.82; 696.43]	J/mol×K	[760.16; 1025.38]
Cp,gas	604.82	J/mol×K	760.16	Joback Calculated Property
Cp,gas	623.05	J/mol×K	804.36	Joback Calculated Property
Cp,gas	639.82	J/mol×K	848.57	Joback Calculated Property
Cp,gas	655.35	J/mol×K	892.77	Joback Calculated Property
Cp,gas	669.83	J/mol×K	936.97	Joback Calculated Property
Cp,gas	683.46	J/mol×K	981.17	Joback Calculated Property
Cp,gas	696.43	J/mol×K	1025.38	Joback Calculated Property
η	[0.0003097; 0.0014328]	Pa×s	[456.92; 760.16]
η	0.0014328	Pa×s	456.92	Joback Calculated Property
η	0.0009775	Pa×s	507.46	Joback Calculated Property
η	0.0007147	Pa×s	558.00	Joback Calculated Property
η	0.0005505	Pa×s	608.54	Joback Calculated Property
η	0.0004413	Pa×s	659.08	Joback Calculated Property
η	0.0003651	Pa×s	709.62	Joback Calculated Property
η	0.0003097	Pa×s	760.16	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1,1'-Binaphthalene, 3,3',4,4'-tetrahydro-.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• 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.
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