Chemical Properties of Benzoic acid, 3-hydroxypropyl ester

InChI

InChI=1S/C10H12O3/c11-7-4-8-13-10(12)9-5-2-1-3-6-9/h1-3,5-6,11H,4,7-8H2

InChI Key

BZISNWGGPWSXTK-UHFFFAOYSA-N

Formula

C10H12O3

SMILES

O=C(OCCCO)c1ccccc1

Molecular Weight¹

180.20

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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	0.7714		Relay (1.0) Calculated Property
ΔfH°gas	-459.99	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	24.15	kJ/mol	Joback Calculated Property
ΔvapH°	89.38	kJ/mol	Relay (1.0) Calculated Property
IE	9.32	eV	Relay (1.0) Calculated Property
log10WS	-1.65		Relay (1.0) Calculated Property
logPoct/wat	1.226		Crippen Calculated Property
McVol	141.310	ml/mol	McGowan Calculated Property
Pc	3265.31	kPa	Joback Calculated Property
Inp	[1534.00; 1534.00]
Inp	1534.00		NIST
Inp	1534.00		NIST
Tboil	573.82	K	Relay (1.0) Calculated Property
Tc	783.07	K	Relay (1.0) Calculated Property
Tfus	293.11	K	Relay (1.0) Calculated Property
Vc	0.508	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[348.21; 406.53]	J/mol×K	[605.48; 801.80]
Cp,gas	348.21	J/mol×K	605.48	Joback Calculated Property
Cp,gas	359.60	J/mol×K	638.20	Joback Calculated Property
Cp,gas	370.29	J/mol×K	670.92	Joback Calculated Property
Cp,gas	380.31	J/mol×K	703.64	Joback Calculated Property
Cp,gas	389.68	J/mol×K	736.36	Joback Calculated Property
Cp,gas	398.41	J/mol×K	769.08	Joback Calculated Property
Cp,gas	406.53	J/mol×K	801.80	Joback Calculated Property
η	[0.0000664; 0.0067270]	Pa×s	[332.03; 605.48]
η	0.0067270	Pa×s	332.03	Joback Calculated Property
η	0.0019584	Pa×s	377.61	Joback Calculated Property
η	0.0007437	Pa×s	423.18	Joback Calculated Property
η	0.0003409	Pa×s	468.75	Joback Calculated Property
η	0.0001795	Pa×s	514.33	Joback Calculated Property
η	0.0001049	Pa×s	559.90	Joback Calculated Property
η	0.0000664	Pa×s	605.48	Joback Calculated Property

Similar Compounds

Find more compounds similar to Benzoic acid, 3-hydroxypropyl ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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