Chemical Properties of 2,3-Dihydrofarnesyl decanoate (CAS 220284-39-9)

InChI

InChI=1S/C25H46O2/c1-6-7-8-9-10-11-12-19-25(26)27-21-20-24(5)18-14-17-23(4)16-13-15-22(2)3/h15,17,24H,6-14,16,18-21H2,1-5H3/b23-17+

InChI Key

GQOWPKZBFFQEEF-HAVVHWLPSA-N

Formula

C25H46O2

SMILES

CCCCCCCCCC(=O)OCCC(C)CCC=C(C)CCC=C(C)C

Molecular Weight¹

378.63

CAS

220284-39-9

• 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	-757.84	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	59.14	kJ/mol	Joback Calculated Property
ΔvapH°	106.75	kJ/mol	Relay (1.0) Calculated Property
log10WS	-7.35		Relay (1.0) Calculated Property
logPoct/wat	8.169		Crippen Calculated Property
McVol	361.950	ml/mol	McGowan Calculated Property
Pc	820.54	kPa	Joback Calculated Property
Inp	[2562.20; 2562.20]
Inp	2562.20		NIST
Inp	2562.20		NIST
Tboil	633.35	K	Relay (1.0) Calculated Property
Tc	811.86	K	Relay (1.0) Calculated Property
Tfus	245.16	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	[524.15; 1256.04]	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			-2.38560e+01
Coefficient B			2.36980e+00
Coefficient C			-1.41700e-03
Coefficient D			3.27100e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	524.15	J/mol×K	273.00	Calculated Property
Cp,gas	651.66	J/mol×K	353.78	Calculated Property
Cp,gas	765.21	J/mol×K	434.56	Calculated Property
Cp,gas	865.84	J/mol×K	515.33	Calculated Property
Cp,gas	954.57	J/mol×K	596.11	Calculated Property
Cp,gas	1032.44	J/mol×K	676.89	Calculated Property
Cp,gas	1100.49	J/mol×K	757.67	Calculated Property
Cp,gas	1159.75	J/mol×K	838.44	Calculated Property
Cp,gas	1211.26	J/mol×K	919.22	Calculated Property
Cp,gas	1256.04	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 2,3-Dihydrofarnesyl decanoate.

Sources

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

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