Chemical Properties of 3-Heptene, 2,6-dimethyl- (CAS 2738-18-3)

InChI

InChI=1S/C9H18/c1-8(2)6-5-7-9(3)4/h5-6,8-9H,7H2,1-4H3/b6-5+

InChI Key

KDISTZUHDQPXDE-AATRIKPKSA-N

Formula

C9H18

SMILES

CC(C)C=CCC(C)C

Molecular Weight¹

126.24

CAS

2738-18-3

Other Names

• 2,6-Dimethyl-3-heptene
• 2,6-Dimethyl-3-heptene,c&t
• 2,6-dimethylhept-3-ene

• 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).
• 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°	100.24	kJ/mol	Joback Calculated Property
ΔfH°gas	-122.43	kJ/mol	Joback Calculated Property
ΔfusH°	12.22	kJ/mol	Joback Calculated Property
ΔvapH°	34.81	kJ/mol	Joback Calculated Property
log10WS	-2.96		Crippen Calculated Property
logPoct/wat	3.245		Crippen Calculated Property
McVol	133.370	ml/mol	McGowan Calculated Property
Pc	2465.36	kPa	Joback Calculated Property
Inp	[812.00; 815.00]
Inp	812.00		NIST
Inp	815.00		NIST
Inp	812.00		NIST
Tboil	387.40 ± 2.00	K	NIST
Tc	587.67	K	Joback Calculated Property
Tfus	156.11	K	Joback Calculated Property
Vc	0.507	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[257.97; 337.45]	J/mol×K	[408.60; 587.67]
T(K) Ideal gas heat capacity (J/mol×K) 260 280 300 320 340 450 500 550
Cp,gas	257.97	J/mol×K	408.60	Joback Calculated Property
Cp,gas	272.79	J/mol×K	438.45	Joback Calculated Property
Cp,gas	286.94	J/mol×K	468.29	Joback Calculated Property
Cp,gas	300.46	J/mol×K	498.14	Joback Calculated Property
Cp,gas	313.37	J/mol×K	527.98	Joback Calculated Property
Cp,gas	325.70	J/mol×K	557.83	Joback Calculated Property
Cp,gas	337.45	J/mol×K	587.67	Joback Calculated Property
η	[0.0001863; 0.0223846]	Pa×s	[156.11; 408.60]
T(K) Dynamic viscosity (Pa×s) 0 5.00e-3 0.01 0.02 0.02 200 300 400
η	0.0223846	Pa×s	156.11	Joback Calculated Property
η	0.0043187	Pa×s	198.19	Joback Calculated Property
η	0.0014827	Pa×s	240.27	Joback Calculated Property
η	0.0007001	Pa×s	282.36	Joback Calculated Property
η	0.0004016	Pa×s	324.44	Joback Calculated Property
η	0.0002618	Pa×s	366.52	Joback Calculated Property
η	0.0001863	Pa×s	408.60	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[293.34; 409.68]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.57806e+01
Coefficient B			-3.75606e+03
Coefficient C			-5.09040e+01
Temperature range, min.			293.34
Temperature range, max.			409.68
T(K) Vapor pressure (kPa) 0 50 100 150 200 300 350 400
Pvap	1.33	kPa	293.34	Calculated Property
Pvap	2.92	kPa	306.27	Calculated Property
Pvap	5.93	kPa	319.19	Calculated Property
Pvap	11.29	kPa	332.12	Calculated Property
Pvap	20.31	kPa	345.05	Calculated Property
Pvap	34.77	kPa	357.97	Calculated Property
Pvap	56.98	kPa	370.90	Calculated Property
Pvap	89.89	kPa	383.83	Calculated Property
Pvap	137.03	kPa	396.75	Calculated Property
Pvap	202.66	kPa	409.68	Calculated Property

Similar Compounds

Find more compounds similar to 3-Heptene, 2,6-dimethyl-.

Sources

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

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