Chemical Properties of Oplopanoyl acetate (CAS 132032-86-1)

InChI

InChI=1S/C17H28O3/c1-10(2)13-8-9-17(5,20-12(4)19)15-7-6-14(11(3)18)16(13)15/h10,13-16H,6-9H2,1-5H3

InChI Key

DMVJXSFUJUHRRF-UHFFFAOYSA-N

Formula

C17H28O3

SMILES

CC(=O)OC1(C)CCC(C(C)C)C2C(C(C)=O)CCC21

Molecular Weight¹

280.40

CAS

132032-86-1

Other Names

• Oplopanonyl acetate

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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	0.5366		Relay (1.0) Calculated Property
ΔfG°	-216.44	kJ/mol	Joback Calculated Property
ΔfH°gas	-717.56	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	27.53	kJ/mol	Joback Calculated Property
ΔvapH°	87.61	kJ/mol	Relay (1.0) Calculated Property
IE	8.70	eV	Relay (1.0) Calculated Property
log10WS	-3.67		Relay (1.0) Calculated Property
logPoct/wat	3.606		Crippen Calculated Property
McVol	237.680	ml/mol	McGowan Calculated Property
Pc	1663.26	kPa	Joback Calculated Property
Inp	[1881.00; 1890.10]
Inp	1881.00		NIST
Inp	1890.10		NIST
Inp	1890.10		NIST
Inp	1881.00		NIST
Tboil	573.44	K	Relay (1.0) Calculated Property
Tc	817.26	K	Relay (1.0) Calculated Property
Tfus	336.09	K	Relay (1.0) Calculated Property
Vc	0.816	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[744.40; 859.84]	J/mol×K	[730.60; 945.41]
Cp,gas	744.40	J/mol×K	730.60	Joback Calculated Property
Cp,gas	765.87	J/mol×K	766.40	Joback Calculated Property
Cp,gas	786.29	J/mol×K	802.20	Joback Calculated Property
Cp,gas	805.78	J/mol×K	838.00	Joback Calculated Property
Cp,gas	824.45	J/mol×K	873.80	Joback Calculated Property
Cp,gas	842.43	J/mol×K	909.60	Joback Calculated Property
Cp,gas	859.84	J/mol×K	945.41	Joback Calculated Property

Similar Compounds

Find more compounds similar to Oplopanoyl acetate.

Sources

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

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