Chemical Properties of 1,3-Benzodioxole, 5-(1-propenyl)-, (Z)- (CAS 17627-76-8)

InChI

InChI=1S/C10H10O2/c1-2-3-8-4-5-9-10(6-8)12-7-11-9/h2-6H,7H2,1H3/b3-2-

InChI Key

VHVOLFRBFDOUSH-IHWYPQMZSA-N

Formula

C10H10O2

SMILES

CC=Cc1ccc2c(c1)OCO2

Molecular Weight¹

162.19

CAS

17627-76-8

Other Names

• Benzene, 1,2-(methylenedioxy)-4-propenyl-, (Z)-
• «alpha»-Isosafrole
• cis-Isosafrole
• cis-1,2-(Methylenedioxy)-4-propenylbenzene
• (Z)-5-(propen-1-yl)-1,3-benzodioxole

• 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.
• 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°	102.91	kJ/mol	Joback Calculated Property
ΔfH°gas	-89.78	kJ/mol	Joback Calculated Property
ΔfusH°	28.14	kJ/mol	Joback Calculated Property
ΔvapH°	50.65	kJ/mol	Joback Calculated Property
log10WS	-2.92		Crippen Calculated Property
logPoct/wat	2.448		Crippen Calculated Property
McVol	124.580	ml/mol	McGowan Calculated Property
Pc	3543.08	kPa	Joback Calculated Property
Inp	[1308.00; 1308.00]
Inp	1308.00		NIST
Inp	1308.00		NIST
Tboil	534.31	K	Joback Calculated Property
Tc	766.11	K	Joback Calculated Property
Tfus	324.16	K	Joback Calculated Property
Vc	0.468	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[281.89; 347.33]	J/mol×K	[534.31; 766.11]
Cp,gas	281.89	J/mol×K	534.31	Joback Calculated Property
Cp,gas	295.01	J/mol×K	572.94	Joback Calculated Property
Cp,gas	307.14	J/mol×K	611.58	Joback Calculated Property
Cp,gas	318.35	J/mol×K	650.21	Joback Calculated Property
Cp,gas	328.73	J/mol×K	688.84	Joback Calculated Property
Cp,gas	338.36	J/mol×K	727.47	Joback Calculated Property
Cp,gas	347.33	J/mol×K	766.11	Joback Calculated Property
η	[0.0003807; 0.0019464]	Pa×s	[324.16; 534.31]
η	0.0019464	Pa×s	324.16	Joback Calculated Property
η	0.0012988	Pa×s	359.19	Joback Calculated Property
η	0.0009313	Pa×s	394.21	Joback Calculated Property
η	0.0007050	Pa×s	429.24	Joback Calculated Property
η	0.0005566	Pa×s	464.26	Joback Calculated Property
η	0.0004543	Pa×s	499.28	Joback Calculated Property
η	0.0003807	Pa×s	534.31	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1,3-Benzodioxole, 5-(1-propenyl)-, (Z)-.

Sources

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

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