Chemical Properties of Formic acid, 2-phenylethyl ester (CAS 104-62-1)

InChI

InChI=1S/C9H10O2/c10-8-11-7-6-9-4-2-1-3-5-9/h1-5,8H,6-7H2

InChI Key

IKDIJXDZEYHZSD-UHFFFAOYSA-N

Formula

C9H10O2

SMILES

O=COCCc1ccccc1

Molecular Weight¹

150.17

CAS

104-62-1

Other Names

• Phenethyl alcohol, formate
• «beta»-Phenethyl formate
• «beta»-Phenylethyl formate
• Benzeneethanol, formate
• Benzylcarbinyl formate
• Phenethyl formate
• 2-Phenethyl formate
• 2-Phenylethyl formate
• Formic acid, phenethyl ester
• Phenylethyl formate
• 2-Fenylethylester kyseliny mravenci
• NSC 404456

• 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).
• 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
ΔfG°	-67.21	kJ/mol	Joback Calculated Property
ΔfH°gas	-210.36	kJ/mol	Joback Calculated Property
ΔfusH°	16.58	kJ/mol	Joback Calculated Property
ΔvapH°	47.03	kJ/mol	Joback Calculated Property
log10WS	-1.56		Crippen Calculated Property
logPoct/wat	1.402		Crippen Calculated Property
McVol	121.350	ml/mol	McGowan Calculated Property
Pc	3484.76	kPa	Joback Calculated Property
Inp	[1138.50; 1185.00]
Inp	1156.00		NIST
Inp	1138.50		NIST
Inp	1141.90		NIST
Inp	1178.00		NIST
Inp	1176.00		NIST
Inp	1149.00		NIST
Inp	1178.00		NIST
Inp	1185.00		NIST
Inp	1156.00		NIST
Inp	1156.00		NIST
I	[1750.00; 1806.00]
I	1750.00		NIST
I	1775.00		NIST
I	1778.70		NIST
I	1768.00		NIST
I	1784.00		NIST
I	Outlier 1806.00		NIST
I	1750.00		NIST
I	1752.00		NIST
I	1773.00		NIST
I	1752.00		NIST
Tboil	503.08	K	Joback Calculated Property
Tc	713.81	K	Joback Calculated Property
Tfus	281.84	K	Joback Calculated Property
Vc	0.467	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[257.72; 321.44]	J/mol×K	[503.08; 713.81]
Cp,gas	257.72	J/mol×K	503.08	Joback Calculated Property
Cp,gas	269.98	J/mol×K	538.20	Joback Calculated Property
Cp,gas	281.56	J/mol×K	573.32	Joback Calculated Property
Cp,gas	292.48	J/mol×K	608.44	Joback Calculated Property
Cp,gas	302.75	J/mol×K	643.57	Joback Calculated Property
Cp,gas	312.40	J/mol×K	678.69	Joback Calculated Property
Cp,gas	321.44	J/mol×K	713.81	Joback Calculated Property
η	[0.0002506; 0.0026277]	Pa×s	[281.84; 503.08]
η	0.0026277	Pa×s	281.84	Joback Calculated Property
η	0.0014161	Pa×s	318.71	Joback Calculated Property
η	0.0008675	Pa×s	355.59	Joback Calculated Property
η	0.0005827	Pa×s	392.46	Joback Calculated Property
η	0.0004191	Pa×s	429.33	Joback Calculated Property
η	0.0003176	Pa×s	466.21	Joback Calculated Property
η	0.0002506	Pa×s	503.08	Joback Calculated Property

Similar Compounds

Find more compounds similar to Formic acid, 2-phenylethyl ester.

Sources

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

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.