Chemical Properties of Pentyl angelate

InChI

InChI=1S/C10H18O2/c1-4-6-7-8-12-10(11)9(3)5-2/h5H,4,6-8H2,1-3H3/b9-5-

InChI Key

XJWDRSSGOHXOLQ-UITAMQMPSA-N

Formula

C10H18O2

SMILES

CC=C(C)C(=O)OCCCCC

Molecular Weight¹

170.25

• 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).
• 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).
• 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	0.5417		Relay (1.0) Calculated Property
ΔfH°gas	-464.89	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	23.34	kJ/mol	Joback Calculated Property
ΔvapH°	56.29	kJ/mol	Relay (1.0) Calculated Property
IE	9.12	eV	Relay (1.0) Calculated Property
log10WS	-3.16		Relay (1.0) Calculated Property
logPoct/wat	2.686		Crippen Calculated Property
McVol	154.900	ml/mol	McGowan Calculated Property
Pc	2322.54	kPa	Joback Calculated Property
Inp	[1162.00; 1162.00]
Inp	1162.00		NIST
Inp	1162.00		NIST
Tboil	474.11	K	Relay (1.0) Calculated Property
Tc	661.76	K	Relay (1.0) Calculated Property
Tfus	219.23	K	Relay (1.0) Calculated Property
Vc	0.573	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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[350.59; 425.96]	J/mol×K	[508.53; 691.44]
Cp,gas	350.59	J/mol×K	508.53	Joback Calculated Property
Cp,gas	364.62	J/mol×K	539.01	Joback Calculated Property
Cp,gas	378.03	J/mol×K	569.50	Joback Calculated Property
Cp,gas	390.86	J/mol×K	599.98	Joback Calculated Property
Cp,gas	403.11	J/mol×K	630.47	Joback Calculated Property
Cp,gas	414.81	J/mol×K	660.95	Joback Calculated Property
Cp,gas	425.96	J/mol×K	691.44	Joback Calculated Property

Similar Compounds

Find more compounds similar to Pentyl angelate.

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.