Chemical Properties of Formic acid, phenylmethyl ester (CAS 104-57-4)

InChI

InChI=1S/C8H8O2/c9-7-10-6-8-4-2-1-3-5-8/h1-5,7H,6H2

InChI Key

UYWQUFXKFGHYNT-UHFFFAOYSA-N

Formula

C8H8O2

SMILES

O=COCc1ccccc1

Molecular Weight¹

136.15

CAS

104-57-4

Other Names

• Benzyl alcohol, formate
• Benzyl formate
• Benzyl methanoate
• Formic acid, benzyl ester
• Benzylester kyseliny mravenci

• 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).
• 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_boilr : Boiling point at reduced pressure (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
ΔfG°	-75.63	kJ/mol	Joback Calculated Property
ΔfH°gas	-189.72	kJ/mol	Joback Calculated Property
ΔfusH°	13.99	kJ/mol	Joback Calculated Property
ΔvapH°	44.81	kJ/mol	Joback Calculated Property
log10WS	-1.63		Crippen Calculated Property
logPoct/wat	1.360		Crippen Calculated Property
McVol	107.260	ml/mol	McGowan Calculated Property
Pc	3916.03	kPa	Joback Calculated Property
Inp	[1043.00; 1081.60]
Inp	1081.00		NIST
Inp	1057.00		NIST
Inp	1081.60		NIST
Inp	1043.00		NIST
Inp	1045.00		NIST
Inp	1046.00		NIST
Inp	1044.00		NIST
Inp	1044.00		NIST
Inp	1079.00		NIST
Inp	1077.30		NIST
Inp	1044.00		NIST
Inp	1076.00		NIST
Inp	1076.00		NIST
Inp	1058.00		NIST
Inp	1081.20		NIST
Inp	1057.00		NIST
Inp	1043.00		NIST
Inp	1079.00		NIST
Inp	1081.00		NIST
I	[1671.00; 1705.00]
I	1671.00		NIST
I	1687.00		NIST
I	Outlier 1705.00		NIST
I	1673.00		NIST
I	1674.00		NIST
I	1671.00		NIST
I	1674.00		NIST
I	1673.00		NIST
Tboil	476.15 ± 0.40	K	NIST
Tc	694.16	K	Joback Calculated Property
Tfus	270.57	K	Joback Calculated Property
Vc	0.410	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[215.88; 273.65]	J/mol×K	[480.20; 694.16]
Cp,gas	215.88	J/mol×K	480.20	Joback Calculated Property
Cp,gas	227.01	J/mol×K	515.86	Joback Calculated Property
Cp,gas	237.52	J/mol×K	551.52	Joback Calculated Property
Cp,gas	247.42	J/mol×K	587.18	Joback Calculated Property
Cp,gas	256.74	J/mol×K	622.84	Joback Calculated Property
Cp,gas	265.47	J/mol×K	658.50	Joback Calculated Property
Cp,gas	273.65	J/mol×K	694.16	Joback Calculated Property
η	[0.0002628; 0.0025641]	Pa×s	[270.57; 480.20]
η	0.0025641	Pa×s	270.57	Joback Calculated Property
η	0.0014118	Pa×s	305.51	Joback Calculated Property
η	0.0008786	Pa×s	340.45	Joback Calculated Property
η	0.0005973	Pa×s	375.38	Joback Calculated Property
η	0.0004336	Pa×s	410.32	Joback Calculated Property
η	0.0003310	Pa×s	445.26	Joback Calculated Property
η	0.0002628	Pa×s	480.20	Joback Calculated Property
ΔvapH	51.60	kJ/mol	327.50	NIST

Pressure Dependent Properties

Similar Compounds

Find more compounds similar to Formic acid, phenylmethyl ester.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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