Chemical Properties of Cryptofauronyl acetate

InChI

InChI=1S/C16H26O3/c1-9(2)11-7-12-15-13(18-10(3)17)5-6-16(12,4)8-14(11)19-15/h9,11-15H,5-8H2,1-4H3/t11-,12?,13-,14-,15?,16+/m0/s1

InChI Key

IHEPBMIPFUVAAE-IXWGYMPFSA-N

Formula

C16H26O3

SMILES

CC(=O)OC1CCC2(C)CC3OC1C2CC3C(C)C

Molecular Weight¹

266.38

• 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).
• 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
ΔfG°	-109.21	kJ/mol	Joback Calculated Property
ΔfH°gas	-595.35	kJ/mol	Joback Calculated Property
ΔfusH°	31.56	kJ/mol	Joback Calculated Property
ΔvapH°	62.49	kJ/mol	Joback Calculated Property
log10WS	-3.52		Crippen Calculated Property
logPoct/wat	3.168		Crippen Calculated Property
McVol	217.030	ml/mol	McGowan Calculated Property
Pc	1853.11	kPa	Joback Calculated Property
Inp	[1890.00; 1890.00]
Inp	1890.00		NIST
Inp	1890.00		NIST
Tboil	683.27	K	Joback Calculated Property
Tc	899.92	K	Joback Calculated Property
Tfus	411.77	K	Joback Calculated Property
Vc	0.821	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[677.97; 794.80]	J/mol×K	[683.27; 899.92]
Cp,gas	677.97	J/mol×K	683.27	Joback Calculated Property
Cp,gas	699.76	J/mol×K	719.38	Joback Calculated Property
Cp,gas	720.42	J/mol×K	755.49	Joback Calculated Property
Cp,gas	740.09	J/mol×K	791.60	Joback Calculated Property
Cp,gas	758.95	J/mol×K	827.71	Joback Calculated Property
Cp,gas	777.13	J/mol×K	863.81	Joback Calculated Property
Cp,gas	794.80	J/mol×K	899.92	Joback Calculated Property

Similar Compounds

Find more compounds similar to Cryptofauronyl acetate.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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