Chemical Properties of 1H-Indene, 1-hexadecyloctahydro- (CAS 55401-73-5)

InChI

InChI=1S/C25H48/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-23-21-22-24-19-16-17-20-25(23)24/h23-25H,2-22H2,1H3

InChI Key

XYDNFNUIQWCNEV-UHFFFAOYSA-N

Formula

C25H48

SMILES

CCCCCCCCCCCCCCCCC1CCC2CCCCC12

Molecular Weight¹

348.65

CAS

55401-73-5

Other Names

• «alpha»-n-Hexadecylhydrindane
• 1-n-Hexadecylbicyclo(4.3.0)nonane
• 1-n-Hexadecylhydrindane
• 1-n-Hexadecyl(hydroindan)
• 1-Hexyldecylhexahydroindane

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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).
• 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
ω	0.8532		Relay (1.0) Calculated Property
ΔfG°	237.11	kJ/mol	Joback Calculated Property
ΔfH°gas	-437.82	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	51.55	kJ/mol	Joback Calculated Property
ΔvapH°	120.44	kJ/mol	Relay (1.0) Calculated Property
IE	9.71	eV	Relay (1.0) Calculated Property
log10WS	-9.56		Relay (1.0) Calculated Property
logPoct/wat	9.074		Crippen Calculated Property
McVol	341.390	ml/mol	McGowan Calculated Property
Pc	909.43	kPa	Joback Calculated Property
Tboil	648.64	K	Relay (1.0) Calculated Property
Tc	858.18	K	Relay (1.0) Calculated Property
Tfus	[309.60; 309.60]	K
Tfus	309.60 ± 0.60	K	NIST
Tfus	309.60 ± 0.60	K	NIST
Vc	1.290	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[476.53; 1280.57]	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			-1.29745e+02
Coefficient B			2.62532e+00
Coefficient C			-1.58200e-03
Coefficient D			3.67000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	476.53	J/mol×K	273.00	Calculated Property
Cp,gas	617.28	J/mol×K	353.78	Calculated Property
Cp,gas	742.48	J/mol×K	434.56	Calculated Property
Cp,gas	853.27	J/mol×K	515.33	Calculated Property
Cp,gas	950.82	J/mol×K	596.11	Calculated Property
Cp,gas	1036.29	J/mol×K	676.89	Calculated Property
Cp,gas	1110.84	J/mol×K	757.67	Calculated Property
Cp,gas	1175.63	J/mol×K	838.44	Calculated Property
Cp,gas	1231.82	J/mol×K	919.22	Calculated Property
Cp,gas	1280.57	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0106135; 0.0002927]	Pa×s	[309.60; 686.34]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.10869e+01
Coefficient B			2.02518e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			309.60
Temperature range, max.			686.34
η	0.0106135	Pa×s	309.60	Calculated Property
η	0.0048698	Pa×s	351.46	Calculated Property
η	0.0026374	Pa×s	393.32	Calculated Property
η	0.0016072	Pa×s	435.18	Calculated Property
η	0.0010684	Pa×s	477.04	Calculated Property
η	0.0007586	Pa×s	518.90	Calculated Property
η	0.0005669	Pa×s	560.76	Calculated Property
η	0.0004411	Pa×s	602.62	Calculated Property
η	0.0003546	Pa×s	644.48	Calculated Property
η	0.0002927	Pa×s	686.34	Calculated Property

Similar Compounds

Find more compounds similar to 1H-Indene, 1-hexadecyloctahydro-.

Sources

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

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