Chemical Properties of Piperonyl butoxide (CAS 51-03-6)

InChI

InChI=1S/C19H30O5/c1-3-5-7-20-8-9-21-10-11-22-14-17-13-19-18(23-15-24-19)12-16(17)6-4-2/h12-13H,3-11,14-15H2,1-2H3

InChI Key

FIPWRIJSWJWJAI-UHFFFAOYSA-N

Formula

C19H30O5

SMILES

CCCCOCCOCCOCc1cc2c(cc1CCC)OCO2

Molecular Weight¹

338.44

CAS

51-03-6

Other Names

• 1,3-Benzodioxole, 5-[[2-(2-butoxyethoxy)ethoxy]methyl]-6-propyl-
• Toluene, «alpha»-[2-(2-butoxyethoxy)ethoxy]-4,5-(methylenedioxy)-2-propyl-
• Butacide
• Butocide
• Butyl carbitol 6-propylpiperonyl ether
• ENT 14,250
• Pyrenone 606
• 6-Propylpiperonyl butyl diethylene glycol ether
• «alpha»-(2-(2-n-Butoxyethoxy)-ethoxy)-4,5-methylenedioxy-2-propyltoluene
• «alpha»(2-(2-Butoxyethoxy)ethoxy)-4,5-methylenedioxy-2-propyltoluene
• (3,4-Methylenedioxy-6-propylbenzyl) (butyl) diethylene glycol ether
• Butylcarbityl (6-propylpiperonyl) ether
• Ethanol butoxide
• FMC 5273
• NCI-C02813
• NIA 5273
• PB
• 3,4-Methylendioxy-6-propylbenzyl-n-butyl-diaethylenglykolaether
• 3,4-Methylenedioxy-6-propylbenzyl n-butyl diethyleneglycol ether
• 5-Propyl-4-(2,5,8-trioxa-dodecyl)-1,3-benzodioxole
• 6-(Propylpiperonyl)butylcarbityl ether
• Butoxide
• FAC 5273
• Nusyn-noxfish
• Pyrenon
• 4,5-Methylenedioxy-2-propylbenzyldiethylene glycol butyl ether
• Alleviate
• Butoxide (synergist)
• PBO
• NSC 8401
• 2-(2-butoxyethoxy)ethyl 6-propylpiperonyl ether

• 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).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (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°	-226.16	kJ/mol	Joback Calculated Property
ΔfH°gas	-800.89	kJ/mol	Joback Calculated Property
ΔfusH°	54.43	kJ/mol	Joback Calculated Property
ΔvapH°	78.62	kJ/mol	Joback Calculated Property
log10WS	-4.39		Crippen Calculated Property
logPoct/wat	3.718		Crippen Calculated Property
McVol	273.300	ml/mol	McGowan Calculated Property
Pc	1411.18	kPa	Joback Calculated Property
Inp	[2358.00; 2407.00]
Inp	2366.00		NIST
Inp	2407.00		NIST
Inp	2358.00		NIST
Inp	2366.00		NIST
Inp	2407.00		NIST
I	[3235.00; 3235.00]
I	3235.00		NIST
I	3235.00		NIST
Tboil	808.31	K	Joback Calculated Property
Tc	1004.95	K	Joback Calculated Property
Tfus	509.88	K	Joback Calculated Property
Vc	1.046	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[854.65; 941.29]	J/mol×K	[808.31; 1004.95]
Cp,gas	854.65	J/mol×K	808.31	Joback Calculated Property
Cp,gas	871.56	J/mol×K	841.08	Joback Calculated Property
Cp,gas	887.45	J/mol×K	873.86	Joback Calculated Property
Cp,gas	902.34	J/mol×K	906.63	Joback Calculated Property
Cp,gas	916.26	J/mol×K	939.40	Joback Calculated Property
Cp,gas	929.24	J/mol×K	972.18	Joback Calculated Property
Cp,gas	941.29	J/mol×K	1004.95	Joback Calculated Property
η	[0.0000921; 0.0005758]	Pa×s	[509.88; 808.31]
η	0.0005758	Pa×s	509.88	Joback Calculated Property
η	0.0003704	Pa×s	559.62	Joback Calculated Property
η	0.0002561	Pa×s	609.36	Joback Calculated Property
η	0.0001872	Pa×s	659.10	Joback Calculated Property
η	0.0001430	Pa×s	708.83	Joback Calculated Property
η	0.0001131	Pa×s	758.57	Joback Calculated Property
η	0.0000921	Pa×s	808.31	Joback Calculated Property

Pressure Dependent Properties

Similar Compounds

Find more compounds similar to Piperonyl butoxide.

Sources

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

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