Chemical Properties of Benzene, (1-ethyloctyl)- (CAS 4621-36-7)

InChI

InChI=1S/C16H26/c1-3-5-6-7-9-12-15(4-2)16-13-10-8-11-14-16/h8,10-11,13-15H,3-7,9,12H2,1-2H3

InChI Key

PYVIFMPVFLOTLN-UHFFFAOYSA-N

Formula

C16H26

SMILES

CCCCCCCC(CC)c1ccccc1

Molecular Weight¹

218.38

CAS

4621-36-7

Other Names

• Decane, 3-phenyl-
• (3-Decyl)benzene
• (1-Ethyloctyl)benzene

• ω : Acentric Factor.
• 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).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• 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	0.5837		Relay (1.0) Calculated Property
ΔfH°gas	-123.09	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	27.71	kJ/mol	Joback Calculated Property
ΔvapH°	71.91	kJ/mol	Relay (1.0) Calculated Property
IE	8.66	eV	Relay (1.0) Calculated Property
log10WS	-6.27		Relay (1.0) Calculated Property
logPoct/wat	5.541		Crippen Calculated Property
McVol	212.540	ml/mol	McGowan Calculated Property
Pc	1714.61	kPa	Joback Calculated Property
Inp	[267.30; 1573.00]
Inp	1560.00		NIST
Inp	1573.00		NIST
Inp	1553.00		NIST
Inp	1553.00		NIST
Inp	267.30		NIST
I	[1767.00; 1767.00]
I	1767.00		NIST
I	1767.00		NIST
Tboil	549.43	K	Relay (1.0) Calculated Property
Tc	750.39	K	Relay (1.0) Calculated Property
Tfus	243.82	K	Relay (1.0) Calculated Property
Vc	0.792	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[545.21; 647.50]	J/mol×K	[591.92; 784.88]
Cp,gas	545.21	J/mol×K	591.92	Joback Calculated Property
Cp,gas	564.70	J/mol×K	624.08	Joback Calculated Property
Cp,gas	583.16	J/mol×K	656.24	Joback Calculated Property
Cp,gas	600.63	J/mol×K	688.40	Joback Calculated Property
Cp,gas	617.15	J/mol×K	720.56	Joback Calculated Property
Cp,gas	632.76	J/mol×K	752.72	Joback Calculated Property
Cp,gas	647.50	J/mol×K	784.88	Joback Calculated Property
η	[0.0001409; 0.0047483]	Pa×s	[281.50; 591.92]
η	0.0047483	Pa×s	281.50	Joback Calculated Property
η	0.0016759	Pa×s	333.24	Joback Calculated Property
η	0.0007826	Pa×s	384.97	Joback Calculated Property
η	0.0004377	Pa×s	436.71	Joback Calculated Property
η	0.0002769	Pa×s	488.45	Joback Calculated Property
η	0.0001912	Pa×s	540.18	Joback Calculated Property
η	0.0001409	Pa×s	591.92	Joback Calculated Property

Similar Compounds

Find more compounds similar to Benzene, (1-ethyloctyl)-.

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.
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