Chemical Properties of Benzene, (1-propyloctyl)- (CAS 4536-86-1)

InChI

InChI=1S/C17H28/c1-3-5-6-7-9-13-16(12-4-2)17-14-10-8-11-15-17/h8,10-11,14-16H,3-7,9,12-13H2,1-2H3

InChI Key

NSQAXMRLBNXEHK-UHFFFAOYSA-N

Formula

C17H28

SMILES

CCCCCCCC(CCC)c1ccccc1

Molecular Weight¹

232.40

CAS

4536-86-1

Other Names

• Undecane, 4-phenyl-

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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	0.6233		Relay (1.0) Calculated Property
ΔfusH°	30.30	kJ/mol	Joback Calculated Property
ΔvapH°	74.65	kJ/mol	Relay (1.0) Calculated Property
IE	8.66	eV	Relay (1.0) Calculated Property
log10WS	-6.66		Relay (1.0) Calculated Property
logPoct/wat	5.931		Crippen Calculated Property
McVol	226.630	ml/mol	McGowan Calculated Property
Pc	1586.01	kPa	Joback Calculated Property
Inp	[280.20; 1645.00]
Inp	280.20		NIST
Inp	1638.00		NIST
Inp	1645.00		NIST
Inp	1636.00		NIST
Inp	1643.00		NIST
Inp	1638.00		NIST
Inp	280.20		NIST
Inp	1638.00		NIST
Inp	1636.00		NIST
Inp	1643.00		NIST
I	[1843.00; 1843.00]
I	1843.00		NIST
I	1843.00		NIST
Tboil	561.74	K	Relay (1.0) Calculated Property
Tc	758.87	K	Relay (1.0) Calculated Property
Tfus	245.93	K	Relay (1.0) Calculated Property
Vc	0.846	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation 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	[598.89; 703.04]	J/mol×K	[614.80; 805.49]
Cp,gas	598.89	J/mol×K	614.80	Joback Calculated Property
Cp,gas	618.71	J/mol×K	646.58	Joback Calculated Property
Cp,gas	637.50	J/mol×K	678.36	Joback Calculated Property
Cp,gas	655.28	J/mol×K	710.15	Joback Calculated Property
Cp,gas	672.11	J/mol×K	741.93	Joback Calculated Property
Cp,gas	688.01	J/mol×K	773.71	Joback Calculated Property
Cp,gas	703.04	J/mol×K	805.49	Joback Calculated Property
η	[0.0001272; 0.0044125]	Pa×s	[292.77; 614.80]
η	0.0044125	Pa×s	292.77	Joback Calculated Property
η	0.0015456	Pa×s	346.44	Joback Calculated Property
η	0.0007174	Pa×s	400.11	Joback Calculated Property
η	0.0003993	Pa×s	453.78	Joback Calculated Property
η	0.0002515	Pa×s	507.46	Joback Calculated Property
η	0.0001731	Pa×s	561.13	Joback Calculated Property
η	0.0001272	Pa×s	614.80	Joback Calculated Property

Similar Compounds

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

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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