Chemical Properties of 3-Heptene (CAS 592-78-9)

InChI

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

InChI Key

WZHKDGJSXCTSCK-UHFFFAOYSA-N

Formula

C7H14

SMILES

CCC=CCCC

Molecular Weight¹

98.19

CAS

592-78-9

Other Names

• 3-Heptene (c,t)
• hept-3-ene

• ω : Acentric Factor.
• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• 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).
• 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.
• 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
ΔcH°liquid	-4646.88 ± 0.71	kJ/mol	NIST
ΔfG°	88.28	kJ/mol	Joback Calculated Property
ΔfH°gas	-99.81	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	14.09	kJ/mol	Joback Calculated Property
ΔvapH°	36.99	kJ/mol	Relay (1.0) Calculated Property
IE	8.77 ± 0.02	eV	NIST
logPoct/wat	2.753		Crippen Calculated Property
McVol	105.190	ml/mol	McGowan Calculated Property
Pc	2960.12	kPa	Joback Calculated Property
Inp	[698.00; 730.00]
Inp	708.30		NIST
Inp	698.00		NIST
Inp	730.00		NIST
Inp	698.00		NIST
Inp	730.00		NIST
Tboil	[367.15; 370.65]	K
Tboil	368.80 ± 2.00	K	NIST
Tboil	368.65 ± 2.00	K	NIST
Tboil	368.90 ± 1.00	K	NIST
Tboil	368.90 ± 1.00	K	NIST
Tboil	368.70 ± 1.00	K	NIST
Tboil	367.15 ± 2.00	K	NIST
Tboil	369.05 ± 1.00	K	NIST
Tboil	369.65 ± 2.00	K	NIST
Tboil	369.00 ± 1.00	K	NIST
Tboil	368.75 ± 0.70	K	NIST
Tboil	368.90 ± 0.50	K	NIST
Tboil	368.95 ± 1.00	K	NIST
Tboil	368.65 ± 2.00	K	NIST
Tboil	369.20 ± 1.00	K	NIST
Tboil	369.20 ± 1.00	K	NIST
Tboil	369.25 ± 1.00	K	NIST
Tboil	367.15 ± 2.00	K	NIST
Tboil	367.15 ± 2.00	K	NIST
Tboil	367.15 ± 2.00	K	NIST
Tboil	Outlier 370.65 ± 2.00	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.

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; 202.67]	kPa	[272.70; 392.48]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.49153e+01
Coefficient B			-3.34928e+03
Coefficient C			-4.37320e+01
Temperature range, min.			272.70
Temperature range, max.			392.48
Pvap	1.33	kPa	272.70	Calculated Property
Pvap	2.98	kPa	286.01	Calculated Property
Pvap	6.12	kPa	299.32	Calculated Property
Pvap	11.70	kPa	312.63	Calculated Property
Pvap	21.05	kPa	325.94	Calculated Property
Pvap	35.93	kPa	339.24	Calculated Property
Pvap	58.55	kPa	352.55	Calculated Property
Pvap	91.66	kPa	365.86	Calculated Property
Pvap	138.46	kPa	379.17	Calculated Property
Pvap	202.67	kPa	392.48	Calculated Property

Similar Compounds

Find more compounds similar to 3-Heptene.

Sources

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

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