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

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[242.50; 291.79]	J/mol×K	[487.28; 655.31]
Cp,gas	242.50	J/mol×K	487.28	Joback Calculated Property
Cp,gas	251.56	J/mol×K	515.29	Joback Calculated Property
Cp,gas	260.29	J/mol×K	543.29	Joback Calculated Property
Cp,gas	268.67	J/mol×K	571.30	Joback Calculated Property
Cp,gas	276.71	J/mol×K	599.30	Joback Calculated Property
Cp,gas	284.42	J/mol×K	627.31	Joback Calculated Property
Cp,gas	291.79	J/mol×K	655.31	Joback Calculated Property
η	[0.0001615; 0.0333835]	Pa×s	[260.53; 487.28]
η	0.0333835	Pa×s	260.53	Joback Calculated Property
η	0.0078206	Pa×s	298.32	Joback Calculated Property
η	0.0025392	Pa×s	336.11	Joback Calculated Property
η	0.0010349	Pa×s	373.90	Joback Calculated Property
η	0.0004974	Pa×s	411.70	Joback Calculated Property
η	0.0002704	Pa×s	449.49	Joback Calculated Property
η	0.0001615	Pa×s	487.28	Joback 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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