Chemical Properties of 1,3-benzodioxole-5-propionaldehyde (CAS 30830-55-8)

InChI

InChI=1S/C10H10O3/c11-5-1-2-8-3-4-9-10(6-8)13-7-12-9/h3-6H,1-2,7H2

InChI Key

IDCKZBGINKOTOL-UHFFFAOYSA-N

Formula

C10H10O3

SMILES

O=CCCc1ccc2c(c1)OCO2

Molecular Weight¹

178.18

CAS

30830-55-8

Other Names

• 3-(Benzo[d][1,3]dioxol-5-yl)propanal

• 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°	-76.83	kJ/mol	Joback Calculated Property
ΔfH°gas	-292.58	kJ/mol	Joback Calculated Property
ΔfusH°	30.23	kJ/mol	Joback Calculated Property
ΔvapH°	57.42	kJ/mol	Joback Calculated Property
log10WS	-2.18		Crippen Calculated Property
logPoct/wat	1.547		Crippen Calculated Property
McVol	130.450	ml/mol	McGowan Calculated Property
Pc	3637.73	kPa	Joback Calculated Property
Inp	[1522.90; 1522.90]
Inp	1522.90		NIST
Inp	1522.90		NIST
Tboil	578.81	K	Joback Calculated Property
Tc	802.91	K	Joback Calculated Property
Tfus	371.24	K	Joback Calculated Property
Vc	0.504	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[316.97; 377.27]	J/mol×K	[578.81; 802.91]
T(K) Ideal gas heat capacity (J/mol×K) 320 330 340 350 360 370 380 600 700 800
Cp,gas	316.97	J/mol×K	578.81	Joback Calculated Property
Cp,gas	328.94	J/mol×K	616.16	Joback Calculated Property
Cp,gas	340.07	J/mol×K	653.51	Joback Calculated Property
Cp,gas	350.40	J/mol×K	690.86	Joback Calculated Property
Cp,gas	360.01	J/mol×K	728.21	Joback Calculated Property
Cp,gas	368.94	J/mol×K	765.56	Joback Calculated Property
Cp,gas	377.27	J/mol×K	802.91	Joback Calculated Property
η	[0.0005492; 0.0024815]	Pa×s	[371.24; 578.81]
T(K) Dynamic viscosity (Pa×s) 5.00e-4 1.00e-3 1.50e-3 2.00e-3 2.50e-3 400 450 500 550
η	0.0024815	Pa×s	371.24	Joback Calculated Property
η	0.0017339	Pa×s	405.83	Joback Calculated Property
η	0.0012817	Pa×s	440.43	Joback Calculated Property
η	0.0009901	Pa×s	475.02	Joback Calculated Property
η	0.0007921	Pa×s	509.62	Joback Calculated Property
η	0.0006520	Pa×s	544.21	Joback Calculated Property
η	0.0005492	Pa×s	578.81	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1,3-benzodioxole-5-propionaldehyde.

Sources

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

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