Chemical Properties of 1-BROMO-4-PROPYLBENZENE (CAS 588-93-2)

InChI

InChI=1S/C9H11Br/c1-2-3-8-4-6-9(10)7-5-8/h4-7H,2-3H2,1H3

InChI Key

NUPWGLKBGVNSJX-UHFFFAOYSA-N

Formula

C9H11Br

SMILES

CCCc1ccc(Br)cc1

Molecular Weight¹

199.09

CAS

588-93-2

• 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).
• P_vap : Vapor 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	0.3942		Relay (1.0) Calculated Property
ΔfG°	142.00	kJ/mol	Joback Calculated Property
ΔfH°gas	30.25	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	18.00	kJ/mol	Joback Calculated Property
ΔvapH°	57.77	kJ/mol	Relay (1.0) Calculated Property
IE	8.67	eV	Relay (1.0) Calculated Property
log10WS	-4.38		Relay (1.0) Calculated Property
logPoct/wat	3.402		Crippen Calculated Property
McVol	131.410	ml/mol	McGowan Calculated Property
Pc	3472.45	kPa	Joback Calculated Property
Tboil	[498.20; 528.22]	K
Tboil	498.20	K	NIST
Tboil	528.22 ± 0.30	K	NIST
Tc	704.91	K	Relay (1.0) Calculated Property
Tfus	231.62 ± 0.02	K	NIST
Vc	0.482	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[155.69; 371.15]	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			-1.67080e+01
Coefficient B			7.58620e-01
Coefficient C			-5.01360e-04
Coefficient D			1.30600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	155.69	J/mol×K	273.00	Calculated Property
Cp,gas	194.71	J/mol×K	353.78	Calculated Property
Cp,gas	229.00	J/mol×K	434.56	Calculated Property
Cp,gas	258.96	J/mol×K	515.33	Calculated Property
Cp,gas	285.02	J/mol×K	596.11	Calculated Property
Cp,gas	307.58	J/mol×K	676.89	Calculated Property
Cp,gas	327.07	J/mol×K	757.67	Calculated Property
Cp,gas	343.88	J/mol×K	838.44	Calculated Property
Cp,gas	358.44	J/mol×K	919.22	Calculated Property
Cp,gas	371.15	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0074787; 0.0002596]	Pa×s	[231.62; 510.53]	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			-1.10472e+01
Coefficient B			1.42482e+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.			231.62
Temperature range, max.			510.53
η	0.0074787	Pa×s	231.62	Calculated Property
η	0.0036188	Pa×s	262.61	Calculated Property
η	0.0020410	Pa×s	293.60	Calculated Property
η	0.0012842	Pa×s	324.59	Calculated Property
η	0.0008759	Pa×s	355.58	Calculated Property
η	0.0006353	Pa×s	386.57	Calculated Property
η	0.0004832	Pa×s	417.56	Calculated Property
η	0.0003818	Pa×s	448.55	Calculated Property
η	0.0003109	Pa×s	479.54	Calculated Property
η	0.0002596	Pa×s	510.53	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[367.52; 530.99]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.41588e+01
Coefficient B			-3.99330e+03
Coefficient C			-7.96360e+01
Temperature range, min.			367.52
Temperature range, max.			530.99
Pvap	1.33	kPa	367.52	Calculated Property
Pvap	3.04	kPa	385.68	Calculated Property
Pvap	6.31	kPa	403.85	Calculated Property
Pvap	12.12	kPa	422.01	Calculated Property
Pvap	21.82	kPa	440.17	Calculated Property
Pvap	37.12	kPa	458.34	Calculated Property
Pvap	60.14	kPa	476.50	Calculated Property
Pvap	93.41	kPa	494.66	Calculated Property
Pvap	139.83	kPa	512.83	Calculated Property
Pvap	202.64	kPa	530.99	Calculated Property

Similar Compounds

Find more compounds similar to 1-BROMO-4-PROPYLBENZENE.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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