Chemical Properties of 1,5-Heptadiene, 2,6-dimethyl- (CAS 6709-39-3)

InChI

InChI=1S/C9H16/c1-8(2)6-5-7-9(3)4/h7H,1,5-6H2,2-4H3

InChI Key

DONSTYDPUORSDN-UHFFFAOYSA-N

Formula

C9H16

SMILES

C=C(C)CCC=C(C)C

Molecular Weight¹

124.22

CAS

6709-39-3

Other Names

• 2,6-Dimethyl-1,5-heptadiene
• 2,6-dimethylhepta-1,5-diene

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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).
• 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°	175.86	kJ/mol	Joback Calculated Property
ΔfH°gas	-6.02	kJ/mol	Joback Calculated Property
ΔfusH°	15.37	kJ/mol	Joback Calculated Property
ΔvapH°	35.08	kJ/mol	Joback Calculated Property
log10WS	-3.30		Crippen Calculated Property
logPoct/wat	3.309		Crippen Calculated Property
McVol	129.070	ml/mol	McGowan Calculated Property
Pc	2555.92	kPa	Joback Calculated Property
Inp	[829.00; 882.00]
Inp	829.00		NIST
Inp	882.00		NIST
Inp	829.00		NIST
Tboil	[415.10; 416.00]	K
Tboil	415.10 ± 2.00	K	NIST
Tboil	416.00 ± 2.00	K	NIST
Tc	587.50	K	Joback Calculated Property
Tfus	170.50 ± 2.00	K	NIST
Vc	0.502	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[242.60; 316.74]	J/mol×K	[405.92; 587.50]
Cp,gas	242.60	J/mol×K	405.92	Joback Calculated Property
Cp,gas	256.52	J/mol×K	436.18	Joback Calculated Property
Cp,gas	269.78	J/mol×K	466.45	Joback Calculated Property
Cp,gas	282.41	J/mol×K	496.71	Joback Calculated Property
Cp,gas	294.43	J/mol×K	526.98	Joback Calculated Property
Cp,gas	305.86	J/mol×K	557.24	Joback Calculated Property
Cp,gas	316.74	J/mol×K	587.50	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[314.42; 451.11]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.47786e+01
Coefficient B			-3.73259e+03
Coefficient C			-5.68400e+01
Temperature range, min.			314.42
Temperature range, max.			451.11
Pvap	1.33	kPa	314.42	Calculated Property
Pvap	2.99	kPa	329.61	Calculated Property
Pvap	6.15	kPa	344.80	Calculated Property
Pvap	11.77	kPa	359.98	Calculated Property
Pvap	21.18	kPa	375.17	Calculated Property
Pvap	36.13	kPa	390.36	Calculated Property
Pvap	58.82	kPa	405.55	Calculated Property
Pvap	91.95	kPa	420.73	Calculated Property
Pvap	138.68	kPa	435.92	Calculated Property
Pvap	202.65	kPa	451.11	Calculated Property

Similar Compounds

Find more compounds similar to 1,5-Heptadiene, 2,6-dimethyl-.

Sources

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

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