Chemical Properties of 1-propen-1,3-dicarbaldehyde

InChI

InChI=1S/C5H6O2/c6-4-2-1-3-5-7/h1-2,4-5H,3H2/b2-1+

InChI Key

NEOPYIBVKJWHMN-OWOJBTEDSA-N

Formula

C5H6O2

SMILES

O=C/C=C/CC=O

Molecular Weight¹

98.10

• 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).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	13.49	kJ/mol	Joback Calculated Property
IE	9.95	eV	Relay (1.0) Calculated Property
logPoct/wat	0.330		Crippen Calculated Property
McVol	80.150	ml/mol	McGowan Calculated Property
I	[1969.00; 1969.00]
I	1969.00		NIST
I	1969.00		NIST
Tboil	439.90	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[107.37; 228.26]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			6.96100e+00
Coefficient B			4.47800e-01
Coefficient C			-3.18000e-04
Coefficient D			9.15000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	107.37	J/mol×K	273.00	Calculated Property
Cp,gas	129.63	J/mol×K	353.78	Calculated Property
Cp,gas	149.01	J/mol×K	434.56	Calculated Property
Cp,gas	165.80	J/mol×K	515.33	Calculated Property
Cp,gas	180.28	J/mol×K	596.11	Calculated Property
Cp,gas	192.75	J/mol×K	676.89	Calculated Property
Cp,gas	203.49	J/mol×K	757.67	Calculated Property
Cp,gas	212.80	J/mol×K	838.44	Calculated Property
Cp,gas	220.96	J/mol×K	919.22	Calculated Property
Cp,gas	228.26	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0035287; 0.0003254]	Pa×s	[225.03; 424.11]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.07250e+01
Coefficient B			1.14274e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			225.03
Temperature range, max.			424.11
η	0.0035287	Pa×s	225.03	Calculated Property
η	0.0022399	Pa×s	247.15	Calculated Property
η	0.0015321	Pa×s	269.27	Calculated Property
η	0.0011101	Pa×s	291.39	Calculated Property
η	0.0008418	Pa×s	313.51	Calculated Property
η	0.0006620	Pa×s	335.63	Calculated Property
η	0.0005363	Pa×s	357.75	Calculated Property
η	0.0004453	Pa×s	379.87	Calculated Property
η	0.0003774	Pa×s	401.99	Calculated Property
η	0.0003254	Pa×s	424.11	Calculated Property

Similar Compounds

Find more compounds similar to 1-propen-1,3-dicarbaldehyde.

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.
These property values are available through the Cheméo API. A free account gives you an access key.