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

• 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).
• 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
ΔfG°	142.00	kJ/mol	Joback Calculated Property
ΔfH°gas	22.30	kJ/mol	Joback Calculated Property
ΔfusH°	18.00	kJ/mol	Joback Calculated Property
ΔvapH°	45.00	kJ/mol	Joback Calculated Property
log10WS	-3.86		Crippen 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	729.04	K	Joback Calculated Property
Tfus	231.62 ± 0.02	K	NIST
Vc	0.493	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[254.70; 320.49]	J/mol×K	[503.14; 729.04]
Cp,gas	254.70	J/mol×K	503.14	Joback Calculated Property
Cp,gas	267.58	J/mol×K	540.79	Joback Calculated Property
Cp,gas	279.63	J/mol×K	578.44	Joback Calculated Property
Cp,gas	290.91	J/mol×K	616.09	Joback Calculated Property
Cp,gas	301.45	J/mol×K	653.74	Joback Calculated Property
Cp,gas	311.30	J/mol×K	691.39	Joback Calculated Property
Cp,gas	320.49	J/mol×K	729.04	Joback Calculated Property
η	[0.0002705; 0.0021703]	Pa×s	[289.93; 503.14]
η	0.0021703	Pa×s	289.93	Joback Calculated Property
η	0.0012691	Pa×s	325.47	Joback Calculated Property
η	0.0008248	Pa×s	361.00	Joback Calculated Property
η	0.0005791	Pa×s	396.53	Joback Calculated Property
η	0.0004309	Pa×s	432.07	Joback Calculated Property
η	0.0003354	Pa×s	467.61	Joback Calculated Property
η	0.0002705	Pa×s	503.14	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[367.52; 530.99]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
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

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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