Chemical Properties of Piperonyl acetate

InChI

InChI=1S/C10H10O4/c1-7(11)12-5-8-2-3-9-10(4-8)14-6-13-9/h2-4H,5-6H2,1H3

InChI Key

PFWYHTORQZAGCA-UHFFFAOYSA-N

Formula

C10H10O4

SMILES

CC(=O)OCc1ccc2c(c1)OCO2

Molecular Weight¹

194.19

Other Names

• Piperonyl acetate
• 1,3-Benzodioxole-5-methanol, acetate
• Acetic acid, (3,4-methylenedioxy)benzyl ester
• Heliotropyl acetate
• Piperonyl alcohol, acetate
• 1,3-Benzodioxol, 5-(acetoxymethyl)
• Piperonal acetate

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	32.31	kJ/mol	Joback Calculated Property
ΔvapH°	75.12	kJ/mol	Relay (1.0) Calculated Property
IE	8.03	eV	Relay (1.0) Calculated Property
log10WS	-2.58		Relay (1.0) Calculated Property
logPoct/wat	1.478		Crippen Calculated Property
McVol	136.320	ml/mol	McGowan Calculated Property
Inp	[1485.00; 1530.00]
Inp	1530.00		NIST
Inp	1514.00		NIST
Inp	1485.00		NIST
Inp	1485.00		NIST
Inp	1514.00		NIST
I	[2325.00; 2344.00]
I	2344.00		NIST
I	2325.00		NIST
I	2344.00		NIST
I	2325.00		NIST
Tboil	545.29	K	Relay (1.0) Calculated Property
Tfus	291.59	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[336.09; 397.91]	J/mol×K	[588.57; 812.71]
Cp,gas	336.09	J/mol×K	588.57	Joback Calculated Property
Cp,gas	348.45	J/mol×K	625.93	Joback Calculated Property
Cp,gas	359.92	J/mol×K	663.28	Joback Calculated Property
Cp,gas	370.57	J/mol×K	700.64	Joback Calculated Property
Cp,gas	380.42	J/mol×K	738.00	Joback Calculated Property
Cp,gas	389.52	J/mol×K	775.35	Joback Calculated Property
Cp,gas	397.91	J/mol×K	812.71	Joback Calculated Property
η	[0.0003693; 0.0021139]	Pa×s	[371.57; 588.57]
η	0.0021139	Pa×s	371.57	Joback Calculated Property
η	0.0013893	Pa×s	407.74	Joback Calculated Property
η	0.0009777	Pa×s	443.90	Joback Calculated Property
η	0.0007255	Pa×s	480.07	Joback Calculated Property
η	0.0005613	Pa×s	516.24	Joback Calculated Property
η	0.0004491	Pa×s	552.40	Joback Calculated Property
η	0.0003693	Pa×s	588.57	Joback Calculated Property

Similar Compounds

Find more compounds similar to Piperonyl acetate.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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