Chemical Properties of 4-Heptenal (CAS 62238-34-0)

InChI

InChI=1S/C7H12O/c1-2-3-4-5-6-7-8/h3-4,7H,2,5-6H2,1H3/b4-3+

InChI Key

VVGOCOMZRGWHPI-ONEGZZNKSA-N

Formula

C7H12O

SMILES

CCC=CCCC=O

Molecular Weight¹

112.17

CAS

62238-34-0

• 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).
• P_vap : Vapor pressure (kPa).
• I_np : Non-polar retention indices.
• I : 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°	-11.24	kJ/mol	Joback Calculated Property
ΔfH°gas	-156.17	kJ/mol	Joback Calculated Property
ΔfusH°	16.38	kJ/mol	Joback Calculated Property
ΔvapH°	37.85	kJ/mol	Joback Calculated Property
log10WS	-1.89		Crippen Calculated Property
logPoct/wat	1.932		Crippen Calculated Property
McVol	106.760	ml/mol	McGowan Calculated Property
Pc	3213.68	kPa	Joback Calculated Property
Inp	[870.00; 919.00]
Inp	898.00		NIST
Inp	911.00		NIST
Inp	895.00		NIST
Inp	899.00		NIST
Inp	Outlier 870.00		NIST
Inp	Outlier 870.00		NIST
Inp	919.00		NIST
Inp	901.00		NIST
Inp	902.00		NIST
Inp	898.00		NIST
Inp	889.00		NIST
Inp	895.00		NIST
Inp	898.00		NIST
Inp	898.00		NIST
Inp	895.00		NIST
Inp	919.00		NIST
I	[1198.00; 1252.00]
I	1243.00		NIST
I	1252.00		NIST
I	1198.00		NIST
I	1252.00		NIST
Tboil	412.38	K	Joback Calculated Property
Tc	592.75	K	Joback Calculated Property
Tfus	205.57	K	Joback Calculated Property
Vc	0.424	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[201.75; 258.96]	J/mol×K	[412.38; 592.75]
Cp,gas	201.75	J/mol×K	412.38	Joback Calculated Property
Cp,gas	212.47	J/mol×K	442.44	Joback Calculated Property
Cp,gas	222.70	J/mol×K	472.50	Joback Calculated Property
Cp,gas	232.44	J/mol×K	502.57	Joback Calculated Property
Cp,gas	241.72	J/mol×K	532.63	Joback Calculated Property
Cp,gas	250.55	J/mol×K	562.69	Joback Calculated Property
Cp,gas	258.96	J/mol×K	592.75	Joback Calculated Property
η	[0.0002654; 0.0042661]	Pa×s	[205.57; 412.38]
η	0.0042661	Pa×s	205.57	Joback Calculated Property
η	0.0019261	Pa×s	240.04	Joback Calculated Property
η	0.0010618	Pa×s	274.51	Joback Calculated Property
η	0.0006685	Pa×s	308.98	Joback Calculated Property
η	0.0004619	Pa×s	343.44	Joback Calculated Property
η	0.0003414	Pa×s	377.91	Joback Calculated Property
η	0.0002654	Pa×s	412.38	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[328.32; 458.31]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.55564e+01
Coefficient B			-4.04756e+03
Coefficient C			-6.32340e+01
Temperature range, min.			328.32
Temperature range, max.			458.31
Pvap	1.33	kPa	328.32	Calculated Property
Pvap	2.93	kPa	342.76	Calculated Property
Pvap	5.98	kPa	357.21	Calculated Property
Pvap	11.39	kPa	371.65	Calculated Property
Pvap	20.49	kPa	386.09	Calculated Property
Pvap	35.05	kPa	400.54	Calculated Property
Pvap	57.36	kPa	414.98	Calculated Property
Pvap	90.31	kPa	429.42	Calculated Property
Pvap	137.37	kPa	443.87	Calculated Property
Pvap	202.64	kPa	458.31	Calculated Property

Similar Compounds

Find more compounds similar to 4-Heptenal.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.