Chemical Properties of Pentanoic acid, phenylmethyl ester (CAS 10361-39-4)

InChI

InChI=1S/C12H16O2/c1-2-3-9-12(13)14-10-11-7-5-4-6-8-11/h4-8H,2-3,9-10H2,1H3

InChI Key

YZJCDVRXBOPXSQ-UHFFFAOYSA-N

Formula

C12H16O2

SMILES

CCCCC(=O)OCc1ccccc1

Molecular Weight¹

192.25

CAS

10361-39-4

Other Names

• Valeric acid, benzyl ester
• Benzyanyl
• Benzyl pentanoate
• Benzyl valerate
• Benzyl valerianate
• Benzyl N-valerate
• Phenylmethyl valerate
• Phenylmethyl pentanoate
• Phenylmethyl (benzyl) valerate

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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	0.5811		Relay (1.0) Calculated Property
ΔfG°	-147.80	kJ/mol	Joback Calculated Property
ΔfH°gas	-339.38	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	25.25	kJ/mol	Joback Calculated Property
ΔvapH°	63.51	kJ/mol	Relay (1.0) Calculated Property
IE	8.87	eV	Relay (1.0) Calculated Property
log10WS	-3.18		Relay (1.0) Calculated Property
logPoct/wat	2.920		Crippen Calculated Property
McVol	163.620	ml/mol	McGowan Calculated Property
Pc	2417.12	kPa	Joback Calculated Property
Inp	[1384.00; 1446.00]
Inp	1384.00		NIST
Inp	1446.00		NIST
Inp	1445.00		NIST
Inp	1388.00		NIST
Inp	1396.00		NIST
Inp	1396.00		NIST
Inp	1408.00		NIST
Inp	1421.00		NIST
Inp	1446.00		NIST
Inp	1421.00		NIST
I	[1894.00; 1920.00]
I	1894.00		NIST
I	1920.00		NIST
Tboil	519.21	K	Relay (1.0) Calculated Property
Tc	730.60	K	Relay (1.0) Calculated Property
Tfus	228.84	K	Relay (1.0) Calculated Property
Vc	0.608	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[388.90; 469.24]	J/mol×K	[559.06; 762.65]
Cp,gas	388.90	J/mol×K	559.06	Joback Calculated Property
Cp,gas	404.44	J/mol×K	592.99	Joback Calculated Property
Cp,gas	419.09	J/mol×K	626.92	Joback Calculated Property
Cp,gas	432.87	J/mol×K	660.85	Joback Calculated Property
Cp,gas	445.81	J/mol×K	694.78	Joback Calculated Property
Cp,gas	457.92	J/mol×K	728.71	Joback Calculated Property
Cp,gas	469.24	J/mol×K	762.65	Joback Calculated Property
η	[0.0001684; 0.0034193]	Pa×s	[293.75; 559.06]
η	0.0034193	Pa×s	293.75	Joback Calculated Property
η	0.0014910	Pa×s	337.97	Joback Calculated Property
η	0.0007878	Pa×s	382.19	Joback Calculated Property
η	0.0004751	Pa×s	426.40	Joback Calculated Property
η	0.0003151	Pa×s	470.62	Joback Calculated Property
η	0.0002243	Pa×s	514.84	Joback Calculated Property
η	0.0001684	Pa×s	559.06	Joback Calculated Property

Similar Compounds

Find more compounds similar to Pentanoic acid, phenylmethyl ester.

Sources

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

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