Propanoic acid, phenylmethyl ester (CAS 122-63-4)

InChI

InChI=1S/C10H12O2/c1-2-10(11)12-8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3

InChI Key

VHOMAPWVLKRQAZ-UHFFFAOYSA-N

Formula

C10H12O2

SMILES

CCC(=O)OCc1ccccc1

Molecular Weight¹

164.20

CAS

122-63-4

Other Names

Benzyl n-propionate
Benzyl propionate
benzyl propanoate
propionic acid, benzyl ester

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).
Δ_vapH : Enthalpy of vaporization at a given temperature (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).
ρ_l : Liquid Density (kg/m³).
I_np : Non-polar retention indices.
I : Polar retention indices.
γ : Surface Tension (N/m).
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.

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Physical Properties

Property	Value	Unit	Source
ω	0.4935		Relay (1.0) Calculated Property
Δ_fG°	-88.19	kJ/mol	Joback Calculated Property
Δ_fH°_gas	-296.31	kJ/mol	Relay (1.0) Calculated Property
Δ_fusH°	18.48	kJ/mol	Joback Calculated Property
Δ_vapH°	57.91	kJ/mol	Relay (1.0) Calculated Property
IE	8.92	eV	Relay (1.0) Calculated Property
log₁₀WS	-2.07		Relay (1.0) Calculated Property
logP_oct/wat	2.140		Crippen Calculated Property
McVol	135.440	ml/mol	McGowan Calculated Property
P_c	3082.99	kPa	Joback Calculated Property
I_np	[1224.40; 1284.00]
I_np	1230.40		NIST
I_np	1284.00		NIST
I_np	1230.40		NIST
I_np	1245.00		NIST
I_np	1245.00		NIST
I_np	1259.00		NIST
I_np	1272.00		NIST
I_np	1284.00		NIST
I_np	1257.00		NIST
I_np	1266.00		NIST
I_np	1255.00		NIST
I_np	1224.40		NIST
I_np	1225.00		NIST
I_np	1227.90		NIST
I_np	1237.00		NIST
I_np	1250.00		NIST
I_np	1225.00		NIST
I_np	1234.00		NIST
I_np	1266.20		NIST
I_np	1225.00		NIST
I_np	1250.00		NIST
I	[1766.00; 1791.00]
I	1766.00		NIST
I	1769.00		NIST
I	1784.40		NIST
I	1787.90		NIST
I	1784.70		NIST
I	1787.90		NIST
I	1783.00		NIST
I	1791.00		NIST
I	1775.00		NIST
I	1775.00		NIST
I	1784.40		NIST
I	1791.00		NIST
T_boil	490.05	K	Relay (1.0) Calculated Property
T_c	700.64	K	Relay (1.0) Calculated Property
T_fus	242.92	K	Relay (1.0) Calculated Property
V_c	0.501	m³/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
C_p,gas	[300.47; 370.98]	J/mol×K	[531.17; 743.85]

C_p,gas	300.47	J/mol×K	531.17	Joback Calculated Property
C_p,gas	314.07	J/mol×K	566.62	Joback Calculated Property
C_p,gas	326.90	J/mol×K	602.06	Joback Calculated Property
C_p,gas	338.99	J/mol×K	637.51	Joback Calculated Property
C_p,gas	350.35	J/mol×K	672.95	Joback Calculated Property
C_p,gas	361.01	J/mol×K	708.40	Joback Calculated Property
C_p,gas	370.98	J/mol×K	743.85	Joback Calculated Property
η	[0.0015150; 0.0025500]	Pa×s	[288.15; 318.15]
η	0.0025500	Pa×s	288.15	Densities and Viscosities of Binary Mixtures of Ethyl Acetoacetate, Ethyl Isovalerate, Methyl Benzoate, Benzyl Acetate, Ethyl Salicylate, and Benzyl Propionate with Ethanol at T ) (288.15, 298.15, 308.15, and 318.15) K
η	0.0021230	Pa×s	298.15	Densities and Viscosities of Binary Mixtures of Ethyl Acetoacetate, Ethyl Isovalerate, Methyl Benzoate, Benzyl Acetate, Ethyl Salicylate, and Benzyl Propionate with Ethanol at T ) (288.15, 298.15, 308.15, and 318.15) K
η	0.0017870	Pa×s	308.15	Densities and Viscosities of Binary Mixtures of Ethyl Acetoacetate, Ethyl Isovalerate, Methyl Benzoate, Benzyl Acetate, Ethyl Salicylate, and Benzyl Propionate with Ethanol at T ) (288.15, 298.15, 308.15, and 318.15) K
η	0.0015150	Pa×s	318.15	Densities and Viscosities of Binary Mixtures of Ethyl Acetoacetate, Ethyl Isovalerate, Methyl Benzoate, Benzyl Acetate, Ethyl Salicylate, and Benzyl Propionate with Ethanol at T ) (288.15, 298.15, 308.15, and 318.15) K
Δ_vapH	59.00	kJ/mol	338.00	NIST
ρ_l	1027.60	kg/m³	298.15	Refractive Indices and Surface Tensions of Binary Mixtures of Ethyl Acetoacetate, Ethyl Isovalerate, Methyl Benzoate, Benzyl Acetate, Ethyl Salicylate, and Benzyl Propionate with Ethanol at (288.15, 298.15, 308.15, and 318.15) K
γ	[0.03; 0.04]	N/m	[288.15; 358.15]

γ	0.04	N/m	288.15	Densities, Viscosities, Refractive Indices, and Surface Tensions for 12 Flavor Esters from T ) 288.15 K to T ) 358.15 K
γ	0.03	N/m	298.15	Densities, Viscosities, Refractive Indices, and Surface Tensions for 12 Flavor Esters from T ) 288.15 K to T ) 358.15 K
γ	0.03	N/m	308.15	Densities, Viscosities, Refractive Indices, and Surface Tensions for 12 Flavor Esters from T ) 288.15 K to T ) 358.15 K
γ	0.03	N/m	318.15	Densities, Viscosities, Refractive Indices, and Surface Tensions for 12 Flavor Esters from T ) 288.15 K to T ) 358.15 K
γ	0.03	N/m	328.15	Densities, Viscosities, Refractive Indices, and Surface Tensions for 12 Flavor Esters from T ) 288.15 K to T ) 358.15 K
γ	0.03	N/m	338.15	Densities, Viscosities, Refractive Indices, and Surface Tensions for 12 Flavor Esters from T ) 288.15 K to T ) 358.15 K
γ	0.03	N/m	348.15	Densities, Viscosities, Refractive Indices, and Surface Tensions for 12 Flavor Esters from T ) 288.15 K to T ) 358.15 K
γ	0.03	N/m	358.15	Densities, Viscosities, Refractive Indices, and Surface Tensions for 12 Flavor Esters from T ) 288.15 K to T ) 358.15 K

Similar Compounds

Butanedioic acid, methyl phenylmethyl ester.

Propanoic acid, 2-methyl-, phenylmethyl ester.

Butanedioic acid, ethyl phenylmethyl ester.

Succinic acid, di(4-methylbenzyl) ester.

Butanedioic acid, phenylmethyl propyl ester.

Succinic acid, di(3-methylbenzyl) ester.

Find more compounds similar to Propanoic acid, phenylmethyl ester.

Mixtures

Propanoic acid, phenylmethyl ester + Ethanol

Sources

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Chemical Properties of Propanoic acid, phenylmethyl ester (CAS 122-63-4)

Physical Properties

Temperature Dependent Properties

Similar Compounds

Mixtures

Sources