Chemical Properties of Pentanoic acid, 3-phenyl-2-propenyl ester (CAS 10482-65-2)

InChI

InChI=1S/C14H18O2/c1-2-3-11-14(15)16-12-7-10-13-8-5-4-6-9-13/h4-10H,2-3,11-12H2,1H3/b10-7+

InChI Key

FLSKWIBFXUNBAW-JXMROGBWSA-N

Formula

C14H18O2

SMILES

CCCCC(=O)OCC=Cc1ccccc1

Molecular Weight¹

218.29

CAS

10482-65-2

Other Names

• Cinnamyl N-valerate
• 3-Phenyl-2-propenyl pentanoate
• Cinnamyl valerate
• Valeric acid, cinnamyl ester

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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.
• I : 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	0.5767		Relay (1.0) Calculated Property
ΔfH°gas	-302.97	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	30.63	kJ/mol	Joback Calculated Property
ΔvapH°	75.97	kJ/mol	Relay (1.0) Calculated Property
IE	8.32	eV	Relay (1.0) Calculated Property
log10WS	-3.99		Relay (1.0) Calculated Property
logPoct/wat	3.433		Crippen Calculated Property
McVol	187.500	ml/mol	McGowan Calculated Property
Pc	2115.83	kPa	Joback Calculated Property
Inp	[1688.00; 1705.00]
Inp	1688.00		NIST
Inp	1705.00		NIST
Inp	1688.00		NIST
Inp	1705.00		NIST
I	[2347.00; 2347.00]
I	2347.00		NIST
I	2347.00		NIST
Tboil	559.19	K	Relay (1.0) Calculated Property
Tc	760.68	K	Relay (1.0) Calculated Property
Tfus	267.16	K	Relay (1.0) Calculated Property
Vc	0.672	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	[467.99; 550.91]	J/mol×K	[608.98; 814.88]
Cp,gas	467.99	J/mol×K	608.98	Joback Calculated Property
Cp,gas	484.19	J/mol×K	643.30	Joback Calculated Property
Cp,gas	499.39	J/mol×K	677.61	Joback Calculated Property
Cp,gas	513.61	J/mol×K	711.93	Joback Calculated Property
Cp,gas	526.91	J/mol×K	746.25	Joback Calculated Property
Cp,gas	539.33	J/mol×K	780.57	Joback Calculated Property
Cp,gas	550.91	J/mol×K	814.88	Joback Calculated Property
η	[0.0001175; 0.0028443]	Pa×s	[311.21; 608.98]
η	0.0028443	Pa×s	311.21	Joback Calculated Property
η	0.0011607	Pa×s	360.84	Joback Calculated Property
η	0.0005883	Pa×s	410.47	Joback Calculated Property
η	0.0003453	Pa×s	460.10	Joback Calculated Property
η	0.0002248	Pa×s	509.72	Joback Calculated Property
η	0.0001579	Pa×s	559.35	Joback Calculated Property
η	0.0001175	Pa×s	608.98	Joback Calculated Property

Similar Compounds

Find more compounds similar to Pentanoic acid, 3-phenyl-2-propenyl ester.

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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