Chemical Properties of Formic acid, 1-phenylethyl ester

InChI

InChI=1S/C9H10O2/c1-8(11-7-10)9-5-3-2-4-6-9/h2-8H,1H3

InChI Key

RUDZCBJWUDOPTP-UHFFFAOYSA-N

Formula

C9H10O2

SMILES

CC(OC=O)c1ccccc1

Molecular Weight¹

150.18

• 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.
• 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	0.4264		Relay (1.0) Calculated Property
ΔfG°	-123.12	kJ/mol	Joback Calculated Property
ΔfH°gas	-275.21	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	15.63	kJ/mol	Joback Calculated Property
ΔvapH°	58.75	kJ/mol	Relay (1.0) Calculated Property
IE	9.31	eV	Relay (1.0) Calculated Property
log10WS	-2.17		Relay (1.0) Calculated Property
logPoct/wat	1.921		Crippen Calculated Property
McVol	121.350	ml/mol	McGowan Calculated Property
Pc	3356.75	kPa	Joback Calculated Property
Inp	[1136.00; 1136.00]
Inp	1136.00		NIST
Inp	1136.00		NIST
Tboil	454.74	K	Relay (1.0) Calculated Property
Tc	685.37	K	Relay (1.0) Calculated Property
Tfus	238.46	K	Relay (1.0) Calculated Property
Vc	0.433	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[149.66; 357.64]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-3.58800e+01
Coefficient B			8.34120e-01
Coefficient C			-6.13000e-04
Coefficient D			1.72400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	149.66	J/mol×K	273.00	Calculated Property
Cp,gas	190.12	J/mol×K	353.78	Calculated Property
Cp,gas	224.98	J/mol×K	434.56	Calculated Property
Cp,gas	254.77	J/mol×K	515.33	Calculated Property
Cp,gas	280.04	J/mol×K	596.11	Calculated Property
Cp,gas	301.33	J/mol×K	676.89	Calculated Property
Cp,gas	319.19	J/mol×K	757.67	Calculated Property
Cp,gas	334.17	J/mol×K	838.44	Calculated Property
Cp,gas	346.80	J/mol×K	919.22	Calculated Property
Cp,gas	357.64	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0029410; 0.0003628]	Pa×s	[261.31; 492.60]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.02862e+01
Coefficient B			1.16471e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			261.31
Temperature range, max.			492.60
η	0.0029410	Pa×s	261.31	Calculated Property
η	0.0019732	Pa×s	287.01	Calculated Property
η	0.0014136	Pa×s	312.71	Calculated Property
η	0.0010654	Pa×s	338.41	Calculated Property
η	0.0008356	Pa×s	364.10	Calculated Property
η	0.0006767	Pa×s	389.80	Calculated Property
η	0.0005625	Pa×s	415.50	Calculated Property
η	0.0004778	Pa×s	441.20	Calculated Property
η	0.0004132	Pa×s	466.90	Calculated Property
η	0.0003628	Pa×s	492.60	Calculated Property

Similar Compounds

Find more compounds similar to Formic acid, 1-phenylethyl 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.
These property values are available through the Cheméo API. A free account gives you an access key.