Chemical Properties of Farnesyl butanoate (CAS 51532-27-5)

InChI

InChI=1S/C19H32O2/c1-6-9-19(20)21-15-14-18(5)13-8-12-17(4)11-7-10-16(2)3/h10,12,14H,6-9,11,13,15H2,1-5H3/b17-12+,18-14+

InChI Key

GPNSLSVRBMEOCK-NXGXIAAHSA-N

Formula

C19H32O2

SMILES

CCCC(=O)OCC=C(C)CCC=C(C)CCC=C(C)C

Molecular Weight¹

292.46

CAS

51532-27-5

• ω : Acentric Factor.
• 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).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.6506		Relay (1.0) Calculated Property
ΔfH°gas	-551.85	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	46.01	kJ/mol	Joback Calculated Property
ΔvapH°	90.34	kJ/mol	Relay (1.0) Calculated Property
log10WS	-5.41		Relay (1.0) Calculated Property
logPoct/wat	5.749		Crippen Calculated Property
McVol	273.110	ml/mol	McGowan Calculated Property
Pc	1217.44	kPa	Joback Calculated Property
Inp	[2019.90; 2019.90]
Inp	2019.90		NIST
Inp	2019.90		NIST
Tboil	580.96	K	Relay (1.0) Calculated Property
Tc	756.90	K	Relay (1.0) Calculated Property
Tfus	222.75	K	Relay (1.0) Calculated Property
Vc	0.973	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation, 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	[383.33; 915.11]	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			-3.05930e+01
Coefficient B			1.81380e+00
Coefficient C			-1.17350e-03
Coefficient D			3.05400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	383.33	J/mol×K	273.00	Calculated Property
Cp,gas	477.74	J/mol×K	353.78	Calculated Property
Cp,gas	561.06	J/mol×K	434.56	Calculated Property
Cp,gas	634.27	J/mol×K	515.33	Calculated Property
Cp,gas	698.32	J/mol×K	596.11	Calculated Property
Cp,gas	754.19	J/mol×K	676.89	Calculated Property
Cp,gas	802.84	J/mol×K	757.67	Calculated Property
Cp,gas	845.23	J/mol×K	838.44	Calculated Property
Cp,gas	882.33	J/mol×K	919.22	Calculated Property
Cp,gas	915.11	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Farnesyl butanoate.

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.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
These property values are available through the Cheméo API. A free account gives you an access key.