Chemical Properties of (E)-3,7-Dimethylocta-2,6-dien-1-yl tetradecanoate (CAS 72934-10-2)

InChI

InChI=1S/C24H44O2/c1-5-6-7-8-9-10-11-12-13-14-15-19-24(25)26-21-20-23(4)18-16-17-22(2)3/h17,20H,5-16,18-19,21H2,1-4H3/b23-20+

InChI Key

BVBISCLEXKZRHD-BSYVCWPDSA-N

Formula

C24H44O2

SMILES

CCCCCCCCCCCCCC(=O)OCC=C(C)CCC=C(C)C

Molecular Weight¹

364.61

CAS

72934-10-2

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-712.57	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	60.07	kJ/mol	Joback Calculated Property
ΔvapH°	109.30	kJ/mol	Relay (1.0) Calculated Property
log10WS	-7.61		Relay (1.0) Calculated Property
logPoct/wat	7.923		Crippen Calculated Property
McVol	347.860	ml/mol	McGowan Calculated Property
Pc	863.53	kPa	Joback Calculated Property
Inp	[2548.20; 2548.20]
Inp	2548.20		NIST
Inp	2548.20		NIST
Tboil	624.45	K	Relay (1.0) Calculated Property
Tc	809.67	K	Relay (1.0) Calculated Property
Tfus	264.05	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[503.25; 1203.91]	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			-2.12650e+01
Coefficient B			2.26888e+00
Coefficient C			-1.35940e-03
Coefficient D			3.15700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	503.25	J/mol×K	273.00	Calculated Property
Cp,gas	625.25	J/mol×K	353.78	Calculated Property
Cp,gas	733.89	J/mol×K	434.56	Calculated Property
Cp,gas	830.16	J/mol×K	515.33	Calculated Property
Cp,gas	915.05	J/mol×K	596.11	Calculated Property
Cp,gas	989.58	J/mol×K	676.89	Calculated Property
Cp,gas	1054.73	J/mol×K	757.67	Calculated Property
Cp,gas	1111.50	J/mol×K	838.44	Calculated Property
Cp,gas	1160.90	J/mol×K	919.22	Calculated Property
Cp,gas	1203.91	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to (E)-3,7-Dimethylocta-2,6-dien-1-yl tetradecanoate.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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