Chemical Properties of 3-Heptene, 2,2,3,5,5,6,6-heptamethyl- (CAS 54845-26-0)

InChI

InChI=1S/C14H28/c1-11(12(2,3)4)10-14(8,9)13(5,6)7/h10H,1-9H3/b11-10+

InChI Key

RVZGQICOUDJTHV-ZHACJKMWSA-N

Formula

C14H28

SMILES

C/C(=C\C(C)(C)C(C)(C)C)C(C)(C)C

Molecular Weight¹

196.38

CAS

54845-26-0

Other Names

• 2,2,3,5,5,6,6-Heptamethyl-3-heptene

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• Δ_vapH : Enthalpy of vaporization at a given temperature (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_vap : Vapor pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[284.24; 715.15]	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			-9.71300e+01
Coefficient B			1.73128e+00
Coefficient C			-1.33930e-03
Coefficient D			4.20300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	284.24	J/mol×K	273.00	Calculated Property
Cp,gas	366.34	J/mol×K	353.78	Calculated Property
Cp,gas	436.79	J/mol×K	434.56	Calculated Property
Cp,gas	496.90	J/mol×K	515.33	Calculated Property
Cp,gas	548.02	J/mol×K	596.11	Calculated Property
Cp,gas	591.47	J/mol×K	676.89	Calculated Property
Cp,gas	628.57	J/mol×K	757.67	Calculated Property
Cp,gas	660.67	J/mol×K	838.44	Calculated Property
Cp,gas	689.09	J/mol×K	919.22	Calculated Property
Cp,gas	715.15	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[355.13; 561.24]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.21471e+01
Coefficient B			-3.32578e+03
Coefficient C			-7.46990e+01
Temperature range, min.			355.13
Temperature range, max.			561.24
Pvap	1.33	kPa	355.13	Calculated Property
Pvap	3.26	kPa	378.03	Calculated Property
Pvap	7.05	kPa	400.93	Calculated Property
Pvap	13.75	kPa	423.83	Calculated Property
Pvap	24.72	kPa	446.73	Calculated Property
Pvap	41.51	kPa	469.64	Calculated Property
Pvap	65.86	kPa	492.54	Calculated Property
Pvap	99.60	kPa	515.44	Calculated Property
Pvap	144.59	kPa	538.34	Calculated Property
Pvap	202.66	kPa	561.24	Calculated Property

Similar Compounds

Find more compounds similar to 3-Heptene, 2,2,3,5,5,6,6-heptamethyl-.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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