Chemical Properties of Propyl 3-hydroxybutanoate

InChI

InChI=1S/C6H12O3/c1-2-6(8)9-5-3-4-7/h7H,2-5H2,1H3

InChI Key

AYIRHANHVDOYDJ-UHFFFAOYSA-N

Formula

C6H12O3

SMILES

CCC(=O)OCCCO

Molecular Weight¹

132.16

• 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	0.7085		Relay (1.0) Calculated Property
ΔfG°	-447.55	kJ/mol	Joback Calculated Property
ΔfH°gas	-643.23	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	19.75	kJ/mol	Joback Calculated Property
ΔvapH°	68.03	kJ/mol	Relay (1.0) Calculated Property
IE	10.05	eV	Relay (1.0) Calculated Property
log10WS	0.29		Relay (1.0) Calculated Property
logPoct/wat	0.322		Crippen Calculated Property
McVol	108.710	ml/mol	McGowan Calculated Property
Pc	3472.45	kPa	Joback Calculated Property
Inp	[972.00; 972.00]
Inp	972.00		NIST
Inp	972.00		NIST
Tboil	475.42	K	Relay (1.0) Calculated Property
Tc	674.32	K	Relay (1.0) Calculated Property
Tfus	246.17	K	Relay (1.0) Calculated Property
Vc	0.408	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[161.60; 355.65]	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			2.81340e+01
Coefficient B			5.53020e-01
Coefficient C			-2.38400e-04
Coefficient D			1.29000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	161.60	J/mol×K	273.00	Calculated Property
Cp,gas	194.51	J/mol×K	353.78	Calculated Property
Cp,gas	224.49	J/mol×K	434.56	Calculated Property
Cp,gas	251.58	J/mol×K	515.33	Calculated Property
Cp,gas	275.81	J/mol×K	596.11	Calculated Property
Cp,gas	297.24	J/mol×K	676.89	Calculated Property
Cp,gas	315.89	J/mol×K	757.67	Calculated Property
Cp,gas	331.82	J/mol×K	838.44	Calculated Property
Cp,gas	345.06	J/mol×K	919.22	Calculated Property
Cp,gas	355.65	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0333835; 0.0002365]	Pa×s	[260.53; 458.72]	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			-1.48560e+01
Coefficient B			2.98471e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			260.53
Temperature range, max.			458.72
η	0.0333835	Pa×s	260.53	Calculated Property
η	0.0136699	Pa×s	282.55	Calculated Property
η	0.0063690	Pa×s	304.57	Calculated Property
η	0.0032893	Pa×s	326.59	Calculated Property
η	0.0018467	Pa×s	348.61	Calculated Property
η	0.0011104	Pa×s	370.64	Calculated Property
η	0.0007069	Pa×s	392.66	Calculated Property
η	0.0004721	Pa×s	414.68	Calculated Property
η	0.0003284	Pa×s	436.70	Calculated Property
η	0.0002365	Pa×s	458.72	Calculated Property

Similar Compounds

Find more compounds similar to Propyl 3-hydroxybutanoate.

Sources

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

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