Chemical Properties of (Z)-3-Heptene (CAS 7642-10-6)

InChI

InChI=1S/C7H14/c1-3-5-7-6-4-2/h5,7H,3-4,6H2,1-2H3/b7-5-

InChI Key

WZHKDGJSXCTSCK-ALCCZGGFSA-N

Formula

C7H14

SMILES

CCC=CCCC

Molecular Weight¹

98.19

CAS

7642-10-6

Other Names

• 3-Heptene, (Z)-
• cis-3-Heptene

• 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_fH°_liquid : Liquid phase 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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (kJ/mol).
• IE : Ionization energy (eV).
• 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_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	0.2662		Relay (1.0) Calculated Property
ΔfG°	88.28	kJ/mol	Joback Calculated Property
ΔfH°gas	[-69.40; -68.50]	kJ/mol
ΔfH°gas	-69.40	kJ/mol	NIST
ΔfH°gas	-68.80 ± 0.60	kJ/mol	NIST
ΔfH°gas	-69.10	kJ/mol	NIST
ΔfH°gas	-68.50 ± 0.80	kJ/mol	NIST
ΔfH°liquid	[-104.60; -104.30]	kJ/mol
ΔfH°liquid	-104.60 ± 0.63	kJ/mol	NIST
ΔfH°liquid	-104.30 ± 0.79	kJ/mol	NIST
ΔfusH°	14.09	kJ/mol	Joback Calculated Property
ΔvapH°	35.60	kJ/mol	NIST
IE	8.80	eV	Relay (1.0) Calculated Property
logPoct/wat	2.753		Crippen Calculated Property
McVol	105.190	ml/mol	McGowan Calculated Property
Pc	2960.12	kPa	Joback Calculated Property
Inp	[689.60; 702.00]
Inp	700.90		NIST
Inp	701.10		NIST
Inp	689.60		NIST
Inp	692.00		NIST
Inp	696.00		NIST
Inp	697.00		NIST
Inp	696.10		NIST
Inp	696.90		NIST
Inp	690.50		NIST
Inp	691.10		NIST
Inp	701.00		NIST
Inp	701.00		NIST
Inp	690.00		NIST
Inp	691.00		NIST
Inp	690.40		NIST
Inp	691.10		NIST
Inp	694.10		NIST
Inp	695.30		NIST
Inp	697.30		NIST
Inp	697.30		NIST
Inp	690.00		NIST
Inp	691.00		NIST
Inp	692.00		NIST
Inp	697.40		NIST
Inp	690.90		NIST
Inp	691.00		NIST
Inp	692.30		NIST
Inp	691.70		NIST
Inp	690.00		NIST
Inp	690.00		NIST
Inp	691.00		NIST
Inp	692.00		NIST
Inp	700.90		NIST
Inp	699.00		NIST
Inp	701.60		NIST
Inp	700.88		NIST
Inp	701.00		NIST
Inp	701.00		NIST
Inp	690.30		NIST
Inp	702.00		NIST
Inp	701.00		NIST
Inp	702.00		NIST
Inp	697.00		NIST
Inp	701.00		NIST
Inp	701.00		NIST
Inp	692.00		NIST
Inp	692.00		NIST
Inp	702.00		NIST
Inp	701.00		NIST
Ip	[727.00; 765.00]
Ip	764.00		NIST
Ip	765.00		NIST
Ip	757.00		NIST
Ip	758.00		NIST
Ip	760.00		NIST
Ip	756.20		NIST
Ip	756.70		NIST
Ip	760.30		NIST
Ip	756.70		NIST
Ip	756.20		NIST
Ip	760.30		NIST
Ip	Outlier 727.00		NIST
Tboil	[368.90; 369.15]	K
Tboil	369.00	K	NIST
Tboil	368.90 ± 0.30	K	NIST
Tboil	368.97 ± 0.30	K	NIST
Tboil	369.10 ± 0.50	K	NIST
Tboil	369.15 ± 1.00	K	NIST
Tc	537.83	K	Relay (1.0) Calculated Property
Tfus	147.57	K	Relay (1.0) Calculated Property
Vc	0.413	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Log10 of Water solubility in mol/l for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Temperature Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[139.98; 349.88]	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			-1.76570e+01
Coefficient B			6.88840e-01
Coefficient C			-4.40800e-04
Coefficient D			1.19500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	139.98	J/mol×K	273.00	Calculated Property
Cp,gas	176.16	J/mol×K	353.78	Calculated Property
Cp,gas	208.25	J/mol×K	434.56	Calculated Property
Cp,gas	236.62	J/mol×K	515.33	Calculated Property
Cp,gas	261.64	J/mol×K	596.11	Calculated Property
Cp,gas	283.71	J/mol×K	676.89	Calculated Property
Cp,gas	303.18	J/mol×K	757.67	Calculated Property
Cp,gas	320.45	J/mol×K	838.44	Calculated Property
Cp,gas	335.89	J/mol×K	919.22	Calculated Property
Cp,gas	349.88	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0047393; 0.0001814]	Pa×s	[163.57; 375.41]	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			-1.11341e+01
Coefficient B			9.45800e+02
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.			163.57
Temperature range, max.			375.41
η	0.0047393	Pa×s	163.57	Calculated Property
η	0.0022898	Pa×s	187.11	Calculated Property
η	0.0013017	Pa×s	210.65	Calculated Property
η	0.0008289	Pa×s	234.18	Calculated Property
η	0.0005732	Pa×s	257.72	Calculated Property
η	0.0004216	Pa×s	281.26	Calculated Property
η	0.0003252	Pa×s	304.80	Calculated Property
η	0.0002603	Pa×s	328.34	Calculated Property
η	0.0002147	Pa×s	351.87	Calculated Property
η	0.0001814	Pa×s	375.41	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[266.46; 394.60]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.41650e+01
Coefficient B			-3.13384e+03
Coefficient C			-4.06340e+01
Temperature range, min.			266.46
Temperature range, max.			394.60
Pvap	1.33	kPa	266.46	Calculated Property
Pvap	3.04	kPa	280.70	Calculated Property
Pvap	6.31	kPa	294.94	Calculated Property
Pvap	12.12	kPa	309.17	Calculated Property
Pvap	21.82	kPa	323.41	Calculated Property
Pvap	37.11	kPa	337.65	Calculated Property
Pvap	60.13	kPa	351.89	Calculated Property
Pvap	93.40	kPa	366.12	Calculated Property
Pvap	139.83	kPa	380.36	Calculated Property
Pvap	202.65	kPa	394.60	Calculated Property
Pvap	[9.24e-09; 2901.93]	kPa	[136.51; 545.00]	KDB Vapor Pressure Data
Equation			ln(Y) = A + B/T + C·ln(T) + D·T² + E/T² Y is Pvap in kPa, T in K
Coefficient A			9.14090e+01
Coefficient B			-7.26081e+03
Coefficient C			-1.15726e+01
Coefficient D			9.43755e-06
Coefficient E			0.00000e+00
Temperature range, min.			136.51
Temperature range, max.			545.00
Pvap	9.24e-09	kPa	136.51	Calculated Property
Pvap	2.22e-04	kPa	181.90	Calculated Property
Pvap	0.06	kPa	227.29	Calculated Property
Pvap	1.79	kPa	272.67	Calculated Property
Pvap	17.31	kPa	318.06	Calculated Property
Pvap	85.65	kPa	363.45	Calculated Property
Pvap	280.64	kPa	408.84	Calculated Property
Pvap	708.44	kPa	454.22	Calculated Property
Pvap	1512.69	kPa	499.61	Calculated Property
Pvap	2901.93	kPa	545.00	Calculated Property

Similar Compounds

Find more compounds similar to (Z)-3-Heptene.

Sources

• KDB Vapor Pressure Data
• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• KDB
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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