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°	-112.76	kJ/mol	Joback Calculated Property
ΔfH°gas	-451.27	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	23.16	kJ/mol	Joback Calculated Property
ΔvapH°	54.10	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	2289.32	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	657.16	K	Relay (1.0) Calculated Property
Tfus	207.96	K	Relay (1.0) Calculated Property
Vc	0.568	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[349.85; 423.57]	J/mol×K	[501.17; 676.68]
Cp,gas	349.85	J/mol×K	501.17	Joback Calculated Property
Cp,gas	363.46	J/mol×K	530.42	Joback Calculated Property
Cp,gas	376.52	J/mol×K	559.67	Joback Calculated Property
Cp,gas	389.06	J/mol×K	588.93	Joback Calculated Property
Cp,gas	401.07	J/mol×K	618.18	Joback Calculated Property
Cp,gas	412.57	J/mol×K	647.43	Joback Calculated Property
Cp,gas	423.57	J/mol×K	676.68	Joback Calculated Property
η	[0.0002268; 0.0030420]	Pa×s	[272.86; 501.17]
η	0.0030420	Pa×s	272.86	Joback Calculated Property
η	0.0015143	Pa×s	310.91	Joback Calculated Property
η	0.0008777	Pa×s	348.96	Joback Calculated Property
η	0.0005663	Pa×s	387.01	Joback Calculated Property
η	0.0003952	Pa×s	425.07	Joback Calculated Property
η	0.0002926	Pa×s	463.12	Joback Calculated Property
η	0.0002268	Pa×s	501.17	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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