Chemical Properties of endo-Fenchyl acetate (CAS 4057-31-2)

InChI

InChI=1S/C12H20O2/c1-8(13)14-10-11(2,3)9-5-6-12(10,4)7-9/h9-10H,5-7H2,1-4H3/t9?,10-,12?/m0/s1

InChI Key

JUWUWIGZUVEFQB-YZRBJQDESA-N

Formula

C12H20O2

SMILES

CC(=O)OC1C2(C)CCC(C2)C1(C)C

Molecular Weight¹

196.29

CAS

4057-31-2

Other Names

• «alpha»-Fenchyl acetate
• «alpha»-Fenchyl acetate, endo
• Fenchylacetate (endo)

• 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	0.4381		Relay (... Calculated Property
ΔfG°	-100.76	kJ/mol	Joback Calculated Property
ΔfH°gas	-501.36	kJ/mol	Relay (... Calculated Property
ΔfusH°	13.34	kJ/mol	Joback Calculated Property
ΔvapH°	63.13	kJ/mol	Relay (... Calculated Property
IE	9.13	eV	Relay (... Calculated Property
log10WS	-3.38		Relay (... Calculated Property
logPoct/wat	2.764		Crippen Calculated Property
McVol	165.660	ml/mol	McGowan Calculated Property
Pc	2462.92	kPa	Joback Calculated Property
Inp	[1205.00; 1240.00]
Inp	1220.00		NIST
Inp	1220.00		NIST
Inp	1220.00		NIST
Inp	1220.00		NIST
Inp	1205.00		NIST
Inp	1220.00		NIST
Inp	1220.00		NIST
Inp	1222.00		NIST
Inp	Outlier 1240.00		NIST
Inp	1220.00		NIST
Inp	1221.00		NIST
Inp	1215.00		NIST
Inp	Outlier 1236.00		NIST
Inp	1206.00		NIST
Inp	1223.00		NIST
Inp	1225.00		NIST
Inp	1218.00		NIST
Inp	1207.00		NIST
Inp	1218.00		NIST
Inp	1220.00		NIST
Inp	1215.00		NIST
Inp	1222.00		NIST
Inp	1210.00		NIST
Inp	1220.00		NIST
Inp	1217.00		NIST
Inp	1220.00		NIST
Inp	1223.00		NIST
Inp	1210.00		NIST
Inp	1222.00		NIST
Inp	Outlier 1236.00		NIST
Inp	1225.00		NIST
Inp	1215.00		NIST
Inp	1220.00		NIST
Tboil	489.00	K	Relay (... Calculated Property
Tc	729.79	K	Relay (... Calculated Property
Tfus	288.83	K	Relay (... Calculated Property
Vc	0.593	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[437.90; 536.18]	J/mol×K	[559.14; 774.82]
Cp,gas	437.90	J/mol×K	559.14	Joback Calculated Property
Cp,gas	456.54	J/mol×K	595.09	Joback Calculated Property
Cp,gas	474.00	J/mol×K	631.03	Joback Calculated Property
Cp,gas	490.47	J/mol×K	666.98	Joback Calculated Property
Cp,gas	506.18	J/mol×K	702.93	Joback Calculated Property
Cp,gas	521.34	J/mol×K	738.88	Joback Calculated Property
Cp,gas	536.18	J/mol×K	774.82	Joback Calculated Property

Similar Compounds

Find more compounds similar to endo-Fenchyl acetate.

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.