Chemical Properties of Allyl heptanoate (CAS 142-19-8)

InChI

InChI=1S/C10H18O2/c1-3-5-6-7-8-10(11)12-9-4-2/h4H,2-3,5-9H2,1H3

InChI Key

SJWKGDGUQTWDRV-UHFFFAOYSA-N

Formula

C10H18O2

SMILES

C=CCOC(=O)CCCCCC

Molecular Weight¹

170.25

CAS

142-19-8

Other Names

• Heptanoic acid, 2-propenyl ester
• Allyl enanthate
• Allyl heptoate
• Allyl heptylate
• Heptanoic acid, allyl ester
• 2-Propenyl heptanoate
• Allylester kyseliny enanthove
• Allyl n-heptanoate
• Heptanoic acid, 2-propen-1-yl ester
• NSC 20969

• 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.
• I : 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	0.5662		Relay (1.0) Calculated Property
ΔfG°	-189.21	kJ/mol	Joback Calculated Property
ΔfH°gas	-451.27	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	24.74	kJ/mol	Joback Calculated Property
ΔvapH°	55.90	kJ/mol	Relay (1.0) Calculated Property
IE	9.68	eV	Relay (1.0) Calculated Property
log10WS	-3.03		Relay (1.0) Calculated Property
logPoct/wat	2.686		Crippen Calculated Property
McVol	154.900	ml/mol	McGowan Calculated Property
Pc	2202.08	kPa	Joback Calculated Property
Inp	[1156.00; 1180.00]
Inp	1160.00		NIST
Inp	1180.00		NIST
Inp	1163.00		NIST
Inp	1156.00		NIST
Inp	1180.00		NIST
Inp	1163.00		NIST
Inp	1180.00		NIST
I	[1463.00; 1468.00]
I	1468.00		NIST
I	1463.00		NIST
I	1463.00		NIST
Tboil	472.48	K	Relay (1.0) Calculated Property
Tc	661.48	K	Relay (1.0) Calculated Property
Tfus	207.97	K	Relay (1.0) Calculated Property
Vc	0.572	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[343.97; 419.02]	J/mol×K	[483.30; 655.87]
Cp,gas	343.97	J/mol×K	483.30	Joback Calculated Property
Cp,gas	357.87	J/mol×K	512.06	Joback Calculated Property
Cp,gas	371.20	J/mol×K	540.82	Joback Calculated Property
Cp,gas	383.97	J/mol×K	569.58	Joback Calculated Property
Cp,gas	396.19	J/mol×K	598.34	Joback Calculated Property
Cp,gas	407.87	J/mol×K	627.11	Joback Calculated Property
Cp,gas	419.02	J/mol×K	655.87	Joback Calculated Property
η	[0.0002112; 0.0053138]	Pa×s	[243.03; 483.30]
η	0.0053138	Pa×s	243.03	Joback Calculated Property
η	0.0021225	Pa×s	283.08	Joback Calculated Property
η	0.0010643	Pa×s	323.12	Joback Calculated Property
η	0.0006215	Pa×s	363.16	Joback Calculated Property
η	0.0004038	Pa×s	403.21	Joback Calculated Property
η	0.0002836	Pa×s	443.25	Joback Calculated Property
η	0.0002112	Pa×s	483.30	Joback Calculated Property

Similar Compounds

Find more compounds similar to Allyl heptanoate.

Sources

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

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