Chemical Properties of Bulan (CAS 117-26-0)

InChI

InChI=1S/C16H15Cl2NO2/c1-2-15(19(20)21)16(11-3-7-13(17)8-4-11)12-5-9-14(18)10-6-12/h3-10,15-16H,2H2,1H3

InChI Key

SXLBEAVIHFLZQB-UHFFFAOYSA-N

Formula

C16H15Cl2NO2

SMILES

CCC(C(c1ccc(Cl)cc1)c1ccc(Cl)cc1)[N+](=O)[O-]

Molecular Weight¹

324.20

CAS

117-26-0

Other Names

• Benzene, 1,1'-(2-nitrobutylidene)bis[4-chloro-
• Butane, 1,1-bis(p-chlorophenyl)-2-nitro-
• CS 674A
• DNB
• 1,1-Bis(p-chlorophenyl)-2-nitrobutane
• 2-Nitro-1,1-bis(p-chlorophenyl)butane
• 1,1-Bis(4-chlorophenyl)-2-nitrobutane
• ENT 18,065
• 1,1'-(2-Nitrobutylidene)bis(4-chlorobenzene)

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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_fusH : Enthalpy of fusion at a given temperature (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).
• I_np : Non-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
ΔfG°	296.21	kJ/mol	Joback Calculated Property
ΔfH°gas	23.75	kJ/mol	Joback Calculated Property
ΔfusH°	37.21	kJ/mol	Joback Calculated Property
ΔvapH°	81.67	kJ/mol	Joback Calculated Property
log10WS	-6.36		Crippen Calculated Property
logPoct/wat	5.181		Crippen Calculated Property
McVol	230.680	ml/mol	McGowan Calculated Property
Pc	2127.56	kPa	Joback Calculated Property
Inp	[2310.00; 2310.00]
Inp	2310.00		NIST
Inp	2310.00		NIST
Inp	2310.00		NIST
Inp	2310.00		NIST
Tboil	854.62	K	Joback Calculated Property
Tc	1118.21	K	Joback Calculated Property
Tfus	337.17 ± 0.20	K	NIST
Vc	0.883	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[627.25; 688.66]	J/mol×K	[854.62; 1118.21]
Cp,gas	627.25	J/mol×K	854.62	Joback Calculated Property
Cp,gas	640.16	J/mol×K	898.55	Joback Calculated Property
Cp,gas	651.85	J/mol×K	942.48	Joback Calculated Property
Cp,gas	662.43	J/mol×K	986.42	Joback Calculated Property
Cp,gas	672.03	J/mol×K	1030.35	Joback Calculated Property
Cp,gas	680.73	J/mol×K	1074.28	Joback Calculated Property
Cp,gas	688.66	J/mol×K	1118.21	Joback Calculated Property
ΔfusH	15.41	kJ/mol	330.30	NIST

Similar Compounds

Find more compounds similar to Bulan.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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