Chemical Properties of Benzene, 1-chloro-4-propyl- (CAS 52944-34-0)

InChI

InChI=1S/C9H11Cl/c1-2-3-8-4-6-9(10)7-5-8/h4-7H,2-3H2,1H3

InChI Key

QXQAPNSHUJORMC-UHFFFAOYSA-N

Formula

C9H11Cl

SMILES

CCCc1ccc(Cl)cc1

Molecular Weight¹

154.64

CAS

52944-34-0

Other Names

• p-Chloropropylbenzene

• 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).
• 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	0.3762		Relay (1.0) Calculated Property
ΔfG°	115.75	kJ/mol	Joback Calculated Property
ΔfH°gas	-25.38	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	16.92	kJ/mol	Joback Calculated Property
ΔvapH°	54.17	kJ/mol	Relay (1.0) Calculated Property
IE	8.69	eV	Relay (1.0) Calculated Property
log10WS	-4.13		Relay (1.0) Calculated Property
logPoct/wat	3.292		Crippen Calculated Property
McVol	126.150	ml/mol	McGowan Calculated Property
Pc	3076.16	kPa	Joback Calculated Property
Inp	[1111.00; 1211.00]
Inp	1211.00		NIST
Inp	1111.00		NIST
I	1532.00		NIST
Tboil	478.80	K	Relay (1.0) Calculated Property
Tc	678.58	K	Relay (1.0) Calculated Property
Tfus	244.25	K	Relay (1.0) Calculated Property
Vc	0.470	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[155.10; 370.35]	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			-1.20080e+01
Coefficient B			7.27220e-01
Coefficient C			-4.50360e-04
Coefficient D			1.05500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	155.10	J/mol×K	273.00	Calculated Property
Cp,gas	193.57	J/mol×K	353.78	Calculated Property
Cp,gas	227.62	J/mol×K	434.56	Calculated Property
Cp,gas	257.59	J/mol×K	515.33	Calculated Property
Cp,gas	283.81	J/mol×K	596.11	Calculated Property
Cp,gas	306.61	J/mol×K	676.89	Calculated Property
Cp,gas	326.34	J/mol×K	757.67	Calculated Property
Cp,gas	343.31	J/mol×K	838.44	Calculated Property
Cp,gas	357.87	J/mol×K	919.22	Calculated Property
Cp,gas	370.35	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0023979; 0.0002341]	Pa×s	[260.05; 482.79]	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			-1.10759e+01
Coefficient B			1.31136e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			260.05
Temperature range, max.			482.79
η	0.0023979	Pa×s	260.05	Calculated Property
η	0.0015471	Pa×s	284.80	Calculated Property
η	0.0010706	Pa×s	309.55	Calculated Property
η	0.0007824	Pa×s	334.30	Calculated Property
η	0.0005970	Pa×s	359.05	Calculated Property
η	0.0004717	Pa×s	383.79	Calculated Property
η	0.0003835	Pa×s	408.54	Calculated Property
η	0.0003193	Pa×s	433.29	Calculated Property
η	0.0002711	Pa×s	458.04	Calculated Property
η	0.0002341	Pa×s	482.79	Calculated Property

Similar Compounds

Find more compounds similar to Benzene, 1-chloro-4-propyl-.

Sources

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

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