Chemical Properties of trans-Chrysanthenyl acetate (CAS 54324-99-1)

InChI

InChI=1S/C12H18O2/c1-7-5-6-9-11(14-8(2)13)10(7)12(9,3)4/h5,9-11H,6H2,1-4H3

InChI Key

UASZOTVHPVEMQR-UHFFFAOYSA-N

Formula

C12H18O2

SMILES

CC(=O)OC1C2CC=C(C)C1C2(C)C

Molecular Weight¹

194.27

CAS

54324-99-1

Other Names

• (E)-Chrysanthenyl acetate
• trans -Crysanthenyl 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°	-74.94	kJ/mol	Joback Calculated Property
ΔfH°gas	-375.50	kJ/mol	Joback Calculated Property
ΔfusH°	20.47	kJ/mol	Joback Calculated Property
ΔvapH°	50.64	kJ/mol	Joback Calculated Property
log10WS	-2.74		Crippen Calculated Property
logPoct/wat	2.540		Crippen Calculated Property
McVol	161.360	ml/mol	McGowan Calculated Property
Pc	2405.28	kPa	Joback Calculated Property
Inp	[1203.00; 1246.00]
Inp	1235.00		NIST
Inp	1235.00		NIST
Inp	1235.00		NIST
Inp	1228.00		NIST
Inp	1219.00		NIST
Inp	1235.00		NIST
Inp	1237.00		NIST
Inp	1231.00		NIST
Inp	1238.00		NIST
Inp	1246.00		NIST
Inp	1238.00		NIST
Inp	1239.00		NIST
Inp	1233.00		NIST
Inp	1219.00		NIST
Inp	1230.00		NIST
Inp	1220.00		NIST
Inp	1223.00		NIST
Inp	1238.00		NIST
Inp	1236.00		NIST
Inp	1214.00		NIST
Inp	1245.00		NIST
Inp	1235.00		NIST
Inp	1236.00		NIST
Inp	1235.00		NIST
Inp	Outlier 1203.00		NIST
Inp	1238.00		NIST
Inp	1238.00		NIST
Inp	1235.00		NIST
Inp	1221.00		NIST
Inp	1221.00		NIST
Inp	1219.00		NIST
Inp	1219.00		NIST
I	[1534.00; 1582.00]
I	1559.00		NIST
I	1534.00		NIST
I	1538.00		NIST
I	1568.00		NIST
I	1582.00		NIST
I	1582.00		NIST
I	1538.00		NIST
Tboil	563.04	K	Joback Calculated Property
Tc	773.40	K	Joback Calculated Property
Tfus	358.22	K	Joback Calculated Property
Vc	0.620	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[419.92; 511.43]	J/mol×K	[563.04; 773.40]
Cp,gas	419.92	J/mol×K	563.04	Joback Calculated Property
Cp,gas	437.32	J/mol×K	598.10	Joback Calculated Property
Cp,gas	453.71	J/mol×K	633.16	Joback Calculated Property
Cp,gas	469.20	J/mol×K	668.22	Joback Calculated Property
Cp,gas	483.90	J/mol×K	703.28	Joback Calculated Property
Cp,gas	497.94	J/mol×K	738.34	Joback Calculated Property
Cp,gas	511.43	J/mol×K	773.40	Joback Calculated Property

Similar Compounds

Find more compounds similar to trans-Chrysanthenyl acetate.

Sources

• 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.