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

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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
ω	0.3278		Relay (1.0) Calculated Property
ΔfH°gas	-160.41	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	12.22	kJ/mol	Joback Calculated Property
ΔvapH°	43.19	kJ/mol	Relay (1.0) Calculated Property
IE	8.84	eV	Relay (1.0) Calculated Property
log10WS	-4.63		Relay (1.0) 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	812.00		NIST
Inp	815.00		NIST
Tboil	387.40 ± 2.00	K	NIST
Tc	559.89	K	Relay (1.0) Calculated Property
Tfus	167.04	K	Relay (1.0) Calculated Property
Vc	0.500	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation 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	[181.77; 454.14]	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			-2.28390e+01
Coefficient B			8.90680e-01
Coefficient C			-5.56000e-04
Coefficient D			1.42300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	181.77	J/mol×K	273.00	Calculated Property
Cp,gas	228.98	J/mol×K	353.78	Calculated Property
Cp,gas	270.89	J/mol×K	434.56	Calculated Property
Cp,gas	307.98	J/mol×K	515.33	Calculated Property
Cp,gas	340.67	J/mol×K	596.11	Calculated Property
Cp,gas	369.44	J/mol×K	676.89	Calculated Property
Cp,gas	394.72	J/mol×K	757.67	Calculated Property
Cp,gas	416.96	J/mol×K	838.44	Calculated Property
Cp,gas	436.62	J/mol×K	919.22	Calculated Property
Cp,gas	454.14	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0223846; 0.0001824]	Pa×s	[156.11; 411.57]	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			-1.15488e+01
Coefficient B			1.20976e+03
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.			156.11
Temperature range, max.			411.57
η	0.0223846	Pa×s	156.11	Calculated Property
η	0.0067945	Pa×s	184.49	Calculated Property
η	0.0028343	Pa×s	212.88	Calculated Property
η	0.0014524	Pa×s	241.26	Calculated Property
η	0.0008567	Pa×s	269.65	Calculated Property
η	0.0005588	Pa×s	298.03	Calculated Property
η	0.0003926	Pa×s	326.42	Calculated Property
η	0.0002919	Pa×s	354.80	Calculated Property
η	0.0002267	Pa×s	383.19	Calculated Property
η	0.0001824	Pa×s	411.57	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[293.34; 409.68]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
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
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

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

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