Chemical Properties of 16-Acetoxycarterochaetol

InChI

InChI=1S/C22H36O3/c1-15(9-13-24-16(2)23)17-14-19-21(5)11-7-10-20(3,4)18(21)8-12-22(19,6)25-17/h9,17-19H,7-8,10-14H2,1-6H3/b15-9-/t17?,18-,19?,21-,22+/m1/s1

InChI Key

XJXXRCYCZWSCRN-WSFUHMCBSA-N

Formula

C22H36O3

SMILES

CC(=O)OCC=C(C)C1CC2C(C)(CCC3C(C)(C)CCCC32C)O1

Molecular Weight¹

348.52

• 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	0.5494		Relay (1.0) Calculated Property
ΔfG°	-19.76	kJ/mol	Joback Calculated Property
ΔfH°gas	-712.57	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	32.72	kJ/mol	Joback Calculated Property
ΔvapH°	100.32	kJ/mol	Relay (1.0) Calculated Property
IE	8.35	eV	Relay (1.0) Calculated Property
log10WS	-4.28		Relay (1.0) Calculated Property
logPoct/wat	5.286		Crippen Calculated Property
McVol	297.270	ml/mol	McGowan Calculated Property
Pc	1361.64	kPa	Joback Calculated Property
Inp	[2787.00; 2787.00]
Inp	2787.00		NIST
Inp	2787.00		NIST
Tboil	630.06	K	Relay (1.0) Calculated Property
Tc	885.25	K	Relay (1.0) Calculated Property
Tfus	339.84	K	Relay (1.0) Calculated Property
Vc	1.065	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1012.54; 1194.46]	J/mol×K	[834.05; 1063.58]
Cp,gas	1012.54	J/mol×K	834.05	Joback Calculated Property
Cp,gas	1040.35	J/mol×K	872.31	Joback Calculated Property
Cp,gas	1068.62	J/mol×K	910.56	Joback Calculated Property
Cp,gas	1097.76	J/mol×K	948.82	Joback Calculated Property
Cp,gas	1128.17	J/mol×K	987.07	Joback Calculated Property
Cp,gas	1160.27	J/mol×K	1025.33	Joback Calculated Property
Cp,gas	1194.46	J/mol×K	1063.58	Joback Calculated Property

Similar Compounds

Find more compounds similar to 16-Acetoxycarterochaetol.

Sources

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

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