Chemical Properties of 2-Ethylbenzoic acid (CAS 612-19-1)

InChI

InChI=1S/C9H10O2/c1-2-7-5-3-4-6-8(7)9(10)11/h3-6H,2H2,1H3,(H,10,11)

InChI Key

CGMMPMYKMDITEA-UHFFFAOYSA-N

Formula

C9H10O2

SMILES

CCc1ccccc1C(=O)O

Molecular Weight¹

150.17

CAS

612-19-1

• ω : Acentric Factor.
• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,solid : Solid phase 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_fH°_solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_subH° : Enthalpy of sublimation at standard conditions (kJ/mol).
• Δ_subH : Enthalpy of sublimation at a given temperature (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).
• P_vap : Vapor pressure (kPa).
• 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	0.6858		Relay (1.0) Calculated Property
ΔcH°solid	-4529.40 ± 3.70	kJ/mol	NIST
ΔfG°	-216.23	kJ/mol	Joback Calculated Property
ΔfH°gas	-340.70 ± 1.50	kJ/mol	NIST
ΔfH°solid	-441.40 ± 1.50	kJ/mol	NIST
ΔfusH°	22.86	kJ/mol	Joback Calculated Property
ΔsubH°	[100.70; 101.10]	kJ/mol
ΔsubH°	101.10 ± 0.40	kJ/mol	NIST
ΔsubH°	100.70 ± 0.40	kJ/mol	NIST
ΔsubH°	100.70	kJ/mol	NIST
ΔsubH°	100.70 ± 2.50	kJ/mol	NIST
ΔsubH°	101.10 ± 0.40	kJ/mol	NIST
ΔvapH°	80.66	kJ/mol	Relay (1.0) Calculated Property
IE	9.10	eV	Relay (1.0) Calculated Property
log10WS	-2.44		Relay (1.0) Calculated Property
logPoct/wat	1.947		Crippen Calculated Property
McVol	121.350	ml/mol	McGowan Calculated Property
Pc	3555.77	kPa	Joback Calculated Property
Tboil	532.20	K	NIST
Tc	765.95	K	Relay (1.0) Calculated Property
Tfus	338.00 ± 3.00	K	NIST
Vc	0.434	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[283.08; 340.38]	J/mol×K	[582.69; 807.80]
Cp,gas	283.08	J/mol×K	582.69	Joback Calculated Property
Cp,gas	294.41	J/mol×K	620.21	Joback Calculated Property
Cp,gas	304.97	J/mol×K	657.73	Joback Calculated Property
Cp,gas	314.81	J/mol×K	695.25	Joback Calculated Property
Cp,gas	323.96	J/mol×K	732.77	Joback Calculated Property
Cp,gas	332.47	J/mol×K	770.29	Joback Calculated Property
Cp,gas	340.38	J/mol×K	807.80	Joback Calculated Property
Cp,solid	208.70	J/mol×K	298.15	NIST
η	[0.0002262; 0.0011312]	Pa×s	[390.73; 582.69]
η	0.0011312	Pa×s	390.73	Joback Calculated Property
η	0.0007815	Pa×s	422.72	Joback Calculated Property
η	0.0005688	Pa×s	454.72	Joback Calculated Property
η	0.0004316	Pa×s	486.71	Joback Calculated Property
η	0.0003389	Pa×s	518.70	Joback Calculated Property
η	0.0002736	Pa×s	550.70	Joback Calculated Property
η	0.0002262	Pa×s	582.69	Joback Calculated Property
ΔsubH	100.50	kJ/mol	305.50	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[412.72; 560.03]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.63489e+01
Coefficient B			-5.19795e+03
Coefficient C			-8.90880e+01
Temperature range, min.			412.72
Temperature range, max.			560.03
Pvap	1.33	kPa	412.72	Calculated Property
Pvap	2.89	kPa	429.09	Calculated Property
Pvap	5.83	kPa	445.46	Calculated Property
Pvap	11.06	kPa	461.82	Calculated Property
Pvap	19.89	kPa	478.19	Calculated Property
Pvap	34.10	kPa	494.56	Calculated Property
Pvap	56.08	kPa	510.93	Calculated Property
Pvap	88.85	kPa	527.29	Calculated Property
Pvap	136.20	kPa	543.66	Calculated Property
Pvap	202.66	kPa	560.03	Calculated Property

Similar Compounds

Find more compounds similar to 2-Ethylbenzoic acid.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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.