Chemical Properties of 1,6-Heptadiene (CAS 3070-53-9)

InChI

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

InChI Key

GEAWFZNTIFJMHR-UHFFFAOYSA-N

Formula

C7H12

SMILES

C=CCCCC=C

Molecular Weight¹

96.17

CAS

3070-53-9

Other Names

• CH2=CH(CH2)3CH=CH2

• 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).
• 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
ΔfG°	183.74	kJ/mol	Joback Calculated Property
ΔfH°gas	63.05	kJ/mol	Joback Calculated Property
ΔfusH°	11.33	kJ/mol	Joback Calculated Property
ΔvapH°	29.84	kJ/mol	Joback Calculated Property
IE	9.52 ± 0.02	eV	NIST
log10WS	-2.46		Crippen Calculated Property
logPoct/wat	2.529		Crippen Calculated Property
McVol	100.890	ml/mol	McGowan Calculated Property
Pc	3065.95	kPa	Joback Calculated Property
Inp	[663.00; 677.40]
Inp	676.00		NIST
Inp	668.30		NIST
Inp	664.80		NIST
Inp	663.00		NIST
Inp	664.00		NIST
Inp	665.00		NIST
Inp	665.00		NIST
Inp	677.40		NIST
Inp	671.00		NIST
Inp	674.00		NIST
Inp	676.00		NIST
Inp	665.00		NIST
Inp	674.00		NIST
Tboil	[362.20; 363.16]	K
Tboil	362.70	K	NIST
Tboil	363.16 ± 1.00	K	NIST
Tboil	362.20 ± 1.00	K	NIST
Tc	523.33	K	Joback Calculated Property
Tfus	143.80 ± 2.00	K	NIST
Vc	0.390	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[166.99; 224.62]	J/mol×K	[352.92; 523.33]
Cp,gas	166.99	J/mol×K	352.92	Joback Calculated Property
Cp,gas	177.68	J/mol×K	381.32	Joback Calculated Property
Cp,gas	187.91	J/mol×K	409.72	Joback Calculated Property
Cp,gas	197.71	J/mol×K	438.12	Joback Calculated Property
Cp,gas	207.08	J/mol×K	466.53	Joback Calculated Property
Cp,gas	216.05	J/mol×K	494.93	Joback Calculated Property
Cp,gas	224.62	J/mol×K	523.33	Joback Calculated Property
η	[0.0002211; 0.0033042]	Pa×s	[165.13; 352.92]
η	0.0033042	Pa×s	165.13	Joback Calculated Property
η	0.0014702	Pa×s	196.43	Joback Calculated Property
η	0.0008173	Pa×s	227.73	Joback Calculated Property
η	0.0005236	Pa×s	259.02	Joback Calculated Property
η	0.0003692	Pa×s	290.32	Joback Calculated Property
η	0.0002787	Pa×s	321.62	Joback Calculated Property
η	0.0002211	Pa×s	352.92	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[270.12; 384.98]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.52909e+01
Coefficient B			-3.42306e+03
Coefficient C			-4.19670e+01
Temperature range, min.			270.12
Temperature range, max.			384.98
Pvap	1.33	kPa	270.12	Calculated Property
Pvap	2.95	kPa	282.88	Calculated Property
Pvap	6.03	kPa	295.64	Calculated Property
Pvap	11.51	kPa	308.41	Calculated Property
Pvap	20.71	kPa	321.17	Calculated Property
Pvap	35.40	kPa	333.93	Calculated Property
Pvap	57.84	kPa	346.69	Calculated Property
Pvap	90.85	kPa	359.46	Calculated Property
Pvap	137.81	kPa	372.22	Calculated Property
Pvap	202.66	kPa	384.98	Calculated Property

Similar Compounds

Find more compounds similar to 1,6-Heptadiene.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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