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_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	0.7714		Relay (1.0) Calculated Property
ΔfG°	-225.01	kJ/mol	Joback Calculated Property
ΔfH°gas	-459.99	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	22.57	kJ/mol	Joback Calculated Property
ΔvapH°	88.65	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	3423.86	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	781.97	K	Relay (1.0) Calculated Property
Tfus	294.31	K	Relay (1.0) Calculated Property
Vc	0.510	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[351.28; 408.71]	J/mol×K	[623.35; 821.89]
Cp,gas	351.28	J/mol×K	623.35	Joback Calculated Property
Cp,gas	362.42	J/mol×K	656.44	Joback Calculated Property
Cp,gas	372.90	J/mol×K	689.53	Joback Calculated Property
Cp,gas	382.76	J/mol×K	722.62	Joback Calculated Property
Cp,gas	392.00	J/mol×K	755.71	Joback Calculated Property
Cp,gas	400.65	J/mol×K	788.80	Joback Calculated Property
Cp,gas	408.71	J/mol×K	821.89	Joback Calculated Property
η	[0.0000688; 0.0034351]	Pa×s	[361.86; 623.35]
η	0.0034351	Pa×s	361.86	Joback Calculated Property
η	0.0012611	Pa×s	405.44	Joback Calculated Property
η	0.0005624	Pa×s	449.02	Joback Calculated Property
η	0.0002893	Pa×s	492.61	Joback Calculated Property
η	0.0001658	Pa×s	536.19	Joback Calculated Property
η	0.0001033	Pa×s	579.77	Joback Calculated Property
η	0.0000688	Pa×s	623.35	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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