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

• 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).
• 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).
• 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
ΔcH°solid	-4529.40 ± 3.70	kJ/mol	NIST
ΔfG°	-138.06	kJ/mol	Joback Calculated Property
ΔfH°gas	-340.70 ± 1.50	kJ/mol	NIST
ΔfH°solid	-441.40 ± 1.50	kJ/mol	NIST
ΔfusH°	18.41	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°	61.99	kJ/mol	Joback Calculated Property
log10WS	-2.33		Crippen Calculated Property
logPoct/wat	1.947		Crippen Calculated Property
McVol	121.350	ml/mol	McGowan Calculated Property
Pc	3853.09	kPa	Joback Calculated Property
Tboil	532.20	K	NIST
Tc	787.21	K	Joback Calculated Property
Tfus	338.00 ± 3.00	K	NIST
Vc	0.457	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[280.42; 333.35]	J/mol×K	[583.03; 787.21]
Cp,gas	280.42	J/mol×K	583.03	Joback Calculated Property
Cp,gas	290.68	J/mol×K	617.06	Joback Calculated Property
Cp,gas	300.33	J/mol×K	651.09	Joback Calculated Property
Cp,gas	309.40	J/mol×K	685.12	Joback Calculated Property
Cp,gas	317.91	J/mol×K	719.15	Joback Calculated Property
Cp,gas	325.89	J/mol×K	753.18	Joback Calculated Property
Cp,gas	333.35	J/mol×K	787.21	Joback Calculated Property
Cp,solid	208.70	J/mol×K	298.15	NIST
η	[0.0001039; 0.0045711]	Pa×s	[340.88; 583.03]
η	0.0045711	Pa×s	340.88	Joback Calculated Property
η	0.0017423	Pa×s	381.24	Joback Calculated Property
η	0.0007988	Pa×s	421.60	Joback Calculated Property
η	0.0004197	Pa×s	461.95	Joback Calculated Property
η	0.0002445	Pa×s	502.31	Joback Calculated Property
η	0.0001544	Pa×s	542.67	Joback Calculated Property
η	0.0001039	Pa×s	583.03	Joback Calculated Property
ΔsubH	100.50	kJ/mol	305.50	NIST

Similar Compounds

Find more compounds similar to 2-Ethylbenzoic acid.

Sources

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

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