Chemical Properties of Glycidyl butyrate

InChI

InChI=1S/C7H12O3/c1-2-3-7(8)10-5-6-4-9-6/h6H,2-5H2,1H3

InChI Key

YLNSNVGRSIOCEU-UHFFFAOYSA-N

Formula

C7H12O3

SMILES

CCCC(=O)OCC1CO1

Molecular Weight¹

144.17

• ω : Acentric Factor.
• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• 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_fH°_liquid : Liquid phase 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).
• n₀ : Refractive Index.
• 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	0.5146		Relay (1.0) Calculated Property
ΔcH°liquid	-3909.20 ± 4.20	kJ/mol	NIST
ΔfH°gas	-501.70 ± 2.80	kJ/mol	NIST
ΔfH°liquid	-560.40 ± 4.20	kJ/mol	NIST
ΔfusH°	22.79	kJ/mol	Joback Calculated Property
ΔvapH°	[58.00; 58.70]	kJ/mol
ΔvapH°	58.70 ± 0.40	kJ/mol	NIST
ΔvapH°	58.67 ± 0.35	kJ/mol	NIST
ΔvapH°	58.00 ± 0.42	kJ/mol	NIST
ΔvapH°	58.00 ± 0.40	kJ/mol	NIST
ΔvapH°	58.70 ± 0.40	kJ/mol	NIST
ΔvapH°	58.67 ± 0.35	kJ/mol	NIST
IE	10.03	eV	Relay (1.0) Calculated Property
log10WS	-0.75		Relay (1.0) Calculated Property
logPoct/wat	0.729		Crippen Calculated Property
McVol	111.940	ml/mol	McGowan Calculated Property
Pc	3368.44	kPa	Joback Calculated Property
Tboil	461.76	K	Relay (1.0) Calculated Property
Tc	639.99	K	Relay (1.0) Calculated Property
Tfus	199.07	K	Relay (1.0) Calculated Property
Vc	0.452	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	[251.76; 314.90]	J/mol×K	[469.54; 660.17]
Cp,gas	251.76	J/mol×K	469.54	Joback Calculated Property
Cp,gas	263.66	J/mol×K	501.31	Joback Calculated Property
Cp,gas	274.98	J/mol×K	533.08	Joback Calculated Property
Cp,gas	285.75	J/mol×K	564.85	Joback Calculated Property
Cp,gas	295.98	J/mol×K	596.62	Joback Calculated Property
Cp,gas	305.69	J/mol×K	628.39	Joback Calculated Property
Cp,gas	314.90	J/mol×K	660.17	Joback Calculated Property
η	[0.0005265; 0.0022275]	Pa×s	[285.32; 469.54]
η	0.0022275	Pa×s	285.32	Joback Calculated Property
η	0.0015585	Pa×s	316.02	Joback Calculated Property
η	0.0011616	Pa×s	346.73	Joback Calculated Property
η	0.0009082	Pa×s	377.43	Joback Calculated Property
η	0.0007369	Pa×s	408.13	Joback Calculated Property
η	0.0006156	Pa×s	438.84	Joback Calculated Property
η	0.0005265	Pa×s	469.54	Joback Calculated Property
n0	1.42900		298.15	Isobaric (vapour-liquid) equilibria data for the binary system of glycidyl butyrate (1) and epichlorohydrin (2) at 100 kPa,88.66 kPa,56 kPa

Similar Compounds

Find more compounds similar to Glycidyl butyrate.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Isobaric (vapour-liquid) equilibria data for the binary system of glycidyl butyrate (1) and epichlorohydrin (2) at 100 kPa,88.66 kPa,56 kPa
• Joback Method
• McGowan Method
• NIST Webbook

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