Chemical Properties of 4-Heptenal, (Z)- (CAS 6728-31-0)

InChI

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

InChI Key

VVGOCOMZRGWHPI-ARJAWSKDSA-N

Formula

C7H12O

SMILES

CCC=CCCC=O

Molecular Weight¹

112.17

CAS

6728-31-0

Other Names

• cis-4-Hepten-1-al
• (Z)-4-Hepten-1-al
• cis-4-Heptenal
• (4Z)-4-Heptenal
• 4-(Z)-Heptenal
• Hept-4(Z)-enal
• Hept-cis-4-enal
• (Z)-4-Heptenal
• ( Z)-Hept-4-enal

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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_p : 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
ω	0.3607		Relay (1.0) Calculated Property
ΔfG°	-11.24	kJ/mol	Joback Calculated Property
ΔfH°gas	-209.91	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	16.38	kJ/mol	Joback Calculated Property
ΔvapH°	47.76	kJ/mol	Relay (1.0) Calculated Property
IE	9.23	eV	Relay (1.0) Calculated Property
log10WS	-1.37		Relay (1.0) 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; 915.00]
Inp	898.00		NIST
Inp	888.00		NIST
Inp	900.00		NIST
Inp	903.00		NIST
Inp	905.00		NIST
Inp	902.00		NIST
Inp	903.00		NIST
Inp	904.00		NIST
Inp	902.00		NIST
Inp	898.00		NIST
Inp	899.00		NIST
Inp	900.00		NIST
Inp	Outlier 871.60		NIST
Inp	899.10		NIST
Inp	901.00		NIST
Inp	Outlier 879.00		NIST
Inp	880.00		NIST
Inp	Outlier 870.00		NIST
Inp	900.00		NIST
Inp	910.00		NIST
Inp	915.00		NIST
Inp	904.00		NIST
Inp	898.00		NIST
Inp	895.00		NIST
Inp	898.00		NIST
Inp	897.00		NIST
Inp	905.00		NIST
Inp	899.00		NIST
Inp	898.00		NIST
Inp	898.00		NIST
Inp	904.00		NIST
Inp	901.00		NIST
Inp	898.00		NIST
Inp	901.00		NIST
Inp	900.00		NIST
Inp	901.00		NIST
Inp	897.00		NIST
Inp	Outlier 871.00		NIST
Inp	900.00		NIST
Inp	900.00		NIST
Inp	900.00		NIST
Inp	900.00		NIST
Inp	900.00		NIST
Inp	900.00		NIST
Inp	900.00		NIST
Inp	900.00		NIST
Inp	900.00		NIST
Inp	901.00		NIST
Inp	885.00		NIST
Inp	900.00		NIST
Inp	902.00		NIST
Inp	Outlier 874.00		NIST
Inp	898.00		NIST
Inp	900.00		NIST
Inp	900.00		NIST
Inp	899.00		NIST
Inp	899.00		NIST
Inp	898.00		NIST
Inp	900.00		NIST
Ip	[1216.00; 1273.00]
Ip	1235.00		NIST
Ip	1247.00		NIST
Ip	1237.00		NIST
Ip	1244.00		NIST
Ip	1236.00		NIST
Ip	1247.00		NIST
Ip	1220.00		NIST
Ip	1242.00		NIST
Ip	1234.00		NIST
Ip	1220.00		NIST
Ip	1233.00		NIST
Ip	1216.00		NIST
Ip	1231.00		NIST
Ip	1231.00		NIST
Ip	1247.00		NIST
Ip	1216.00		NIST
Ip	1247.00		NIST
Ip	1253.00		NIST
Ip	1246.00		NIST
Ip	1246.00		NIST
Ip	1255.00		NIST
Ip	1251.00		NIST
Ip	1253.00		NIST
Ip	Outlier 1267.00		NIST
Ip	1229.00		NIST
Ip	1229.00		NIST
Ip	1239.00		NIST
Ip	1243.00		NIST
Ip	1237.00		NIST
Ip	1248.00		NIST
Ip	1254.00		NIST
Ip	1240.00		NIST
Ip	1233.00		NIST
Ip	1236.00		NIST
Ip	1238.00		NIST
Ip	1236.00		NIST
Ip	1238.00		NIST
Ip	1257.00		NIST
Ip	1223.00		NIST
Ip	1221.00		NIST
Ip	1246.00		NIST
Ip	1249.00		NIST
Ip	1251.00		NIST
Ip	1251.00		NIST
Ip	1239.00		NIST
Ip	1246.00		NIST
Ip	1248.00		NIST
Ip	Outlier 1267.00		NIST
Ip	Outlier 1269.00		NIST
Ip	Outlier 1273.00		NIST
Ip	1240.00		NIST
Ip	1250.00		NIST
Ip	1241.00		NIST
Ip	1262.00		NIST
Ip	1260.00		NIST
Ip	1237.00		NIST
Ip	1230.00		NIST
Ip	1230.00		NIST
Ip	1237.00		NIST
Ip	1240.00		NIST
Ip	1260.00		NIST
Ip	1244.00		NIST
Ip	1247.00		NIST
Ip	1253.00		NIST
Ip	1263.00		NIST
Ip	1222.00		NIST
Ip	1228.00		NIST
Ip	1218.00		NIST
Ip	1218.00		NIST
Ip	1236.00		NIST
Ip	1230.00		NIST
Ip	1225.00		NIST
Ip	1239.00		NIST
Ip	1234.00		NIST
Ip	1225.00		NIST
Ip	1246.00		NIST
Ip	1246.00		NIST
Ip	1234.00		NIST
Ip	1230.00		NIST
Ip	1219.00		NIST
Ip	1245.00		NIST
Ip	1235.00		NIST
Ip	1247.00		NIST
Ip	1233.00		NIST
Ip	1216.00		NIST
Ip	1255.00		NIST
Ip	1229.00		NIST
Ip	1254.00		NIST
Ip	1246.00		NIST
Ip	1240.00		NIST
Ip	1237.00		NIST
Ip	1260.00		NIST
Ip	1222.00		NIST
Ip	1238.00		NIST
Ip	1249.00		NIST
Ip	1230.00		NIST
Ip	1245.00		NIST
Tboil	416.09	K	Relay (1.0) Calculated Property
Tc	612.42	K	Relay (1.0) Calculated Property
Tfus	192.82	K	Relay (1.0) Calculated Property
Vc	0.395	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[144.89; 340.66]	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			-6.25700e+00
Coefficient B			6.63320e-01
Coefficient C			-4.33800e-04
Coefficient D			1.17400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	144.89	J/mol×K	273.00	Calculated Property
Cp,gas	179.32	J/mol×K	353.78	Calculated Property
Cp,gas	209.71	J/mol×K	434.56	Calculated Property
Cp,gas	236.44	J/mol×K	515.33	Calculated Property
Cp,gas	259.87	J/mol×K	596.11	Calculated Property
Cp,gas	280.39	J/mol×K	676.89	Calculated Property
Cp,gas	298.35	J/mol×K	757.67	Calculated Property
Cp,gas	314.14	J/mol×K	838.44	Calculated Property
Cp,gas	328.12	J/mol×K	919.22	Calculated Property
Cp,gas	340.66	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0042661; 0.0002606]	Pa×s	[205.57; 415.13]	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			-1.09950e+01
Coefficient B			1.13843e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			205.57
Temperature range, max.			415.13
η	0.0042661	Pa×s	205.57	Calculated Property
η	0.0024285	Pa×s	228.85	Calculated Property
η	0.0015340	Pa×s	252.14	Calculated Property
η	0.0010473	Pa×s	275.42	Calculated Property
η	0.0007588	Pa×s	298.71	Calculated Property
η	0.0005760	Pa×s	321.99	Calculated Property
η	0.0004538	Pa×s	345.28	Calculated Property
η	0.0003685	Pa×s	368.56	Calculated Property
η	0.0003067	Pa×s	391.84	Calculated Property
η	0.0002606	Pa×s	415.13	Calculated Property

Similar Compounds

Find more compounds similar to 4-Heptenal, (Z)-.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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