Chemical Properties of 1,3-Benzodioxole, 5-propyl- (CAS 94-58-6)

InChI

InChI=1S/C10H12O2/c1-2-3-8-4-5-9-10(6-8)12-7-11-9/h4-6H,2-3,7H2,1H3

InChI Key

MYEIDJPOUKASEC-UHFFFAOYSA-N

Formula

C10H12O2

SMILES

CCCc1ccc2c(c1)OCO2

Molecular Weight¹

164.20

CAS

94-58-6

Other Names

• Benzene, 1,2-(methylenedioxy)-4-propyl-
• [1,2-(Methylenedioxy)-4-propyl]benzene
• Dihydrosafrol
• Dihydrosafrole
• 2',3'-Dihydrosafrole
• 5-Propyl-1,3-benzodioxole
• 1-(3,4-Methylenedioxyphenyl)propane
• Safrole, dihydro-
• 4-Propyl-1,2-(methylenedioxy)benzene
• Rcra waste number U090
• NSC 27867

• 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°	22.69	kJ/mol	Joback Calculated Property
ΔfH°gas	-207.00	kJ/mol	Joback Calculated Property
ΔfusH°	27.94	kJ/mol	Joback Calculated Property
ΔvapH°	50.70	kJ/mol	Joback Calculated Property
log10WS	-2.90		Crippen Calculated Property
logPoct/wat	2.368		Crippen Calculated Property
McVol	128.880	ml/mol	McGowan Calculated Property
Pc	3333.53	kPa	Joback Calculated Property
Inp	[1286.00; 1286.00]
Inp	1286.00		NIST
Inp	1286.00		NIST
Inp	1286.00		NIST
I	[1822.00; 1822.00]
I	1822.00		NIST
I	1822.00		NIST
I	1822.00		NIST
Tboil	530.15	K	Joback Calculated Property
Tc	751.36	K	Joback Calculated Property
Tfus	329.24	K	Joback Calculated Property
Vc	0.487	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[300.48; 370.34]	J/mol×K	[530.15; 751.36]
Cp,gas	300.48	J/mol×K	530.15	Joback Calculated Property
Cp,gas	314.21	J/mol×K	567.02	Joback Calculated Property
Cp,gas	327.03	J/mol×K	603.89	Joback Calculated Property
Cp,gas	338.99	J/mol×K	640.76	Joback Calculated Property
Cp,gas	350.16	J/mol×K	677.63	Joback Calculated Property
Cp,gas	360.59	J/mol×K	714.49	Joback Calculated Property
Cp,gas	370.34	J/mol×K	751.36	Joback Calculated Property
η	[0.0004481; 0.0021652]	Pa×s	[329.24; 530.15]
η	0.0021652	Pa×s	329.24	Joback Calculated Property
η	0.0014752	Pa×s	362.73	Joback Calculated Property
η	0.0010724	Pa×s	396.21	Joback Calculated Property
η	0.0008193	Pa×s	429.69	Joback Calculated Property
η	0.0006508	Pa×s	463.18	Joback Calculated Property
η	0.0005333	Pa×s	496.66	Joback Calculated Property
η	0.0004481	Pa×s	530.15	Joback Calculated Property

Pressure Dependent Properties

Similar Compounds

Find more compounds similar to 1,3-Benzodioxole, 5-propyl-.

Sources

• 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.