Chemical Properties of 1,4-Heptadiene (CAS 5675-22-9)

InChI

InChI=1S/C7H12/c1-3-5-7-6-4-2/h3,6-7H,1,4-5H2,2H3

InChI Key

FMAMSYPJXSEYSW-UHFFFAOYSA-N

Formula

C7H12

SMILES

C=CCC=CCC

Molecular Weight¹

96.17

CAS

5675-22-9

• 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).
• P_vap : Vapor pressure (kPa).
• 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	0.1898		Relay (1.0) Calculated Property
ΔfG°	176.12	kJ/mol	Joback Calculated Property
ΔfH°gas	23.21	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	12.81	kJ/mol	Joback Calculated Property
ΔvapH°	33.72	kJ/mol	Relay (1.0) Calculated Property
IE	9.05	eV	Relay (1.0) Calculated Property
log10WS	-3.18		Relay (1.0) Calculated Property
logPoct/wat	2.529		Crippen Calculated Property
McVol	100.890	ml/mol	McGowan Calculated Property
Pc	3100.18	kPa	Joback Calculated Property
Tboil	[366.23; 373.90]	K
Tboil	366.23 ± 0.60	K	NIST
Tboil	373.90 ± 5.00	K	NIST
Tc	530.77	K	Relay (1.0) Calculated Property
Tfus	154.61	K	Relay (1.0) Calculated Property
Vc	0.368	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[166.57; 225.80]	J/mol×K	[360.40; 536.35]
Cp,gas	166.57	J/mol×K	360.40	Joback Calculated Property
Cp,gas	177.68	J/mol×K	389.72	Joback Calculated Property
Cp,gas	188.27	J/mol×K	419.05	Joback Calculated Property
Cp,gas	198.35	J/mol×K	448.37	Joback Calculated Property
Cp,gas	207.96	J/mol×K	477.70	Joback Calculated Property
Cp,gas	217.10	J/mol×K	507.02	Joback Calculated Property
Cp,gas	225.80	J/mol×K	536.35	Joback Calculated Property
η	[0.0001889; 0.0037899]	Pa×s	[161.81; 360.40]
η	0.0037899	Pa×s	161.81	Joback Calculated Property
η	0.0015040	Pa×s	194.91	Joback Calculated Property
η	0.0007806	Pa×s	228.01	Joback Calculated Property
η	0.0004784	Pa×s	261.11	Joback Calculated Property
η	0.0003273	Pa×s	294.20	Joback Calculated Property
η	0.0002418	Pa×s	327.30	Joback Calculated Property
η	0.0001889	Pa×s	360.40	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[274.42; 388.04]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.55469e+01
Coefficient B			-3.53223e+03
Coefficient C			-4.29400e+01
Temperature range, min.			274.42
Temperature range, max.			388.04
Pvap	1.33	kPa	274.42	Calculated Property
Pvap	2.94	kPa	287.04	Calculated Property
Pvap	5.98	kPa	299.67	Calculated Property
Pvap	11.39	kPa	312.29	Calculated Property
Pvap	20.50	kPa	324.92	Calculated Property
Pvap	35.06	kPa	337.54	Calculated Property
Pvap	57.38	kPa	350.17	Calculated Property
Pvap	90.34	kPa	362.79	Calculated Property
Pvap	137.40	kPa	375.42	Calculated Property
Pvap	202.66	kPa	388.04	Calculated Property

Similar Compounds

Find more compounds similar to 1,4-Heptadiene.

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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