Chemical Properties of 2-Heptenal, (Z)- (CAS 57266-86-1)

InChI

InChI=1S/C7H12O/c1-2-3-4-5-6-7-8/h5-7H,2-4H2,1H3/b6-5-

InChI Key

NDFKTBCGKNOHPJ-WAYWQWQTSA-N

Formula

C7H12O

SMILES

CCCCC=CC=O

Molecular Weight¹

112.17

CAS

57266-86-1

Other Names

• cis-Hept-2-enal
• (Z)-Hept-2-enal
• (Z)-2-Heptenal

• 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_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	[903.00; 964.00]
Inp	927.00		NIST
Inp	931.00		NIST
Inp	964.00		NIST
Inp	Outlier 906.00		NIST
Inp	964.00		NIST
Inp	964.00		NIST
Inp	Outlier 903.00		NIST
Inp	964.00		NIST
Inp	956.10		NIST
Inp	932.00		NIST
Inp	962.00		NIST
Inp	964.00		NIST
Inp	958.00		NIST
Inp	958.00		NIST
Inp	949.00		NIST
Inp	956.00		NIST
Inp	952.00		NIST
Inp	927.00		NIST
Inp	936.00		NIST
Inp	928.00		NIST
Inp	964.00		NIST
Inp	957.00		NIST
Inp	927.00		NIST
Inp	951.00		NIST
Inp	963.00		NIST
Inp	947.00		NIST
Inp	927.00		NIST
Inp	964.00		NIST
Inp	947.00		NIST
I	[1287.00; 1340.00]
I	Outlier 1287.00		NIST
I	1331.00		NIST
I	1331.00		NIST
I	1339.00		NIST
I	1319.00		NIST
I	1318.00		NIST
I	1322.00		NIST
I	1298.00		NIST
I	1320.00		NIST
I	1340.00		NIST
I	1331.00		NIST
I	1340.00		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

Similar Compounds

Find more compounds similar to 2-Heptenal, (Z)-.

Sources

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

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