Chemical Properties of Fenchyl acetate (CAS 13851-11-1)

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

InChI Key

JUWUWIGZUVEFQB-UHFFFAOYSA-N

Formula

C12H20O2

SMILES

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

Molecular Weight¹

196.29

CAS

13851-11-1

Other Names

• Bicyclo[2.2.1]heptan-2-ol, 1,3,3-trimethyl-, acetate
• 1,3,3-Trimethyl-2-norbornanyl acetate
• 2-Norbornanol, 1,3,3-trimethyl-, acetate
• 1,3,3-Trimethylbicyclo[2.2.1]hept-2-yl acetate
• NSC 404295
• Fenchyl acetate (Isomer)
• 3,3-dimethyl-8,9-dinorbornan-2-yl acetate

• 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.
• I : 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°	-100.76	kJ/mol	Joback Calculated Property
ΔfH°gas	-406.57	kJ/mol	Joback Calculated Property
ΔfusH°	13.34	kJ/mol	Joback Calculated Property
ΔvapH°	48.54	kJ/mol	Joback Calculated Property
log10WS	-2.88		Crippen 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	[1198.00; 1253.00]
Inp	1207.00		NIST
Inp	1205.00		NIST
Inp	1223.00		NIST
Inp	1214.00		NIST
Inp	1207.00		NIST
Inp	1217.00		NIST
Inp	1208.00		NIST
Inp	1220.00		NIST
Inp	1208.00		NIST
Inp	1206.00		NIST
Inp	1208.00		NIST
Inp	1222.60		NIST
Inp	1228.00		NIST
Inp	1233.00		NIST
Inp	1210.00		NIST
Inp	1209.00		NIST
Inp	1221.00		NIST
Inp	Outlier 1240.00		NIST
Inp	1219.00		NIST
Inp	1232.00		NIST
Inp	1204.00		NIST
Inp	1230.00		NIST
Inp	1232.00		NIST
Inp	1198.00		NIST
Inp	1199.00		NIST
Inp	1220.00		NIST
Inp	1225.00		NIST
Inp	1211.00		NIST
Inp	1220.00		NIST
Inp	1203.00		NIST
Inp	1209.00		NIST
Inp	1201.00		NIST
Inp	Outlier 1253.00		NIST
Inp	1216.00		NIST
Inp	1226.00		NIST
Inp	1221.00		NIST
Inp	1220.00		NIST
Inp	1223.00		NIST
Inp	1212.00		NIST
Inp	1220.00		NIST
Inp	1207.00		NIST
Inp	1206.00		NIST
Inp	1201.00		NIST
Inp	1220.00		NIST
I	[1426.00; 1482.00]
I	1460.00		NIST
I	1466.00		NIST
I	1464.00		NIST
I	1459.00		NIST
I	1464.00		NIST
I	1470.00		NIST
I	1464.00		NIST
I	1466.00		NIST
I	1468.00		NIST
I	1476.00		NIST
I	1465.00		NIST
I	1473.00		NIST
I	1443.00		NIST
I	1482.00		NIST
I	1458.00		NIST
I	Outlier 1426.00		NIST
I	1473.00		NIST
I	1481.00		NIST
I	1473.00		NIST
I	1460.00		NIST
I	1470.00		NIST
I	1476.00		NIST
I	1458.00		NIST
I	1468.00		NIST
Tboil	559.14	K	Joback Calculated Property
Tc	774.82	K	Joback Calculated Property
Tfus	368.84	K	Joback Calculated Property
Vc	0.631	m3/kmol	Joback 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 Fenchyl acetate.

Sources

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

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.