Chemical Properties of Methyl (11R,12R,13S)-(Z)-12,13-epoxy-11-methoxy-9-octadecenoate (CAS 88335-39-1)

InChI

InChI=1S/C20H36O4/c1-4-5-11-15-18-20(24-18)17(22-2)14-12-9-7-6-8-10-13-16-19(21)23-3/h12,14,17-18,20H,4-11,13,15-16H2,1-3H3/b14-12+

InChI Key

BOCZHGZTZHPCHP-WYMLVPIESA-N

Formula

C20H36O4

SMILES

CCCCCC1OC1C(C=CCCCCCCCC(=O)OC)OC

Molecular Weight¹

340.50

CAS

88335-39-1

Other Names

• Methyl (Z)-12,13-epoxy-11-methoxy-9-octadecenoate

• 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	0.8516		Relay (1.0) Calculated Property
ΔfG°	-176.70	kJ/mol	Joback Calculated Property
ΔfH°gas	-866.70	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	55.39	kJ/mol	Joback Calculated Property
ΔvapH°	105.88	kJ/mol	Relay (1.0) Calculated Property
IE	9.04	eV	Relay (1.0) Calculated Property
log10WS	-4.54		Relay (1.0) Calculated Property
logPoct/wat	4.809		Crippen Calculated Property
McVol	296.680	ml/mol	McGowan Calculated Property
Pc	1140.57	kPa	Joback Calculated Property
Inp	[2521.00; 2525.00]
Inp	2521.00		NIST
Inp	2525.00		NIST
Inp	2521.00		NIST
Tboil	612.70	K	Relay (1.0) Calculated Property
Tc	799.22	K	Relay (1.0) Calculated Property
Tfus	318.29	K	Relay (1.0) Calculated Property
Vc	1.098	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[942.48; 1041.57]	J/mol×K	[788.45; 973.76]
Cp,gas	942.48	J/mol×K	788.45	Joback Calculated Property
Cp,gas	961.38	J/mol×K	819.33	Joback Calculated Property
Cp,gas	979.28	J/mol×K	850.22	Joback Calculated Property
Cp,gas	996.20	J/mol×K	881.10	Joback Calculated Property
Cp,gas	1012.20	J/mol×K	911.99	Joback Calculated Property
Cp,gas	1027.31	J/mol×K	942.87	Joback Calculated Property
Cp,gas	1041.57	J/mol×K	973.76	Joback Calculated Property
η	[0.0001439; 0.0014187]	Pa×s	[429.74; 788.45]
η	0.0014187	Pa×s	429.74	Joback Calculated Property
η	0.0007676	Pa×s	489.53	Joback Calculated Property
η	0.0004747	Pa×s	549.31	Joback Calculated Property
η	0.0003226	Pa×s	609.10	Joback Calculated Property
η	0.0002349	Pa×s	668.88	Joback Calculated Property
η	0.0001802	Pa×s	728.66	Joback Calculated Property
η	0.0001439	Pa×s	788.45	Joback Calculated Property

Similar Compounds

Find more compounds similar to Methyl (11R,12R,13S)-(Z)-12,13-epoxy-11-methoxy-9-octadecenoate.

Sources

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

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