Chemical Properties of trans-Carveyl acetate (CAS 1134-95-8)

InChI

InChI=1S/C12H18O2/c1-8(2)11-6-5-9(3)12(7-11)14-10(4)13/h5,11-12H,1,6-7H2,2-4H3/t11-,12+/m1/s1

InChI Key

YTHRBOFHFYZBRJ-NEPJUHHUSA-N

Formula

C12H18O2

SMILES

C=C(C)C1CC=C(C)C(OC(C)=O)C1

Molecular Weight¹

194.27

CAS

1134-95-8

Other Names

• Carvyl acetate E
• 5-Isopropenyl-2-methyl-2-cyclohexen-1-yl acetate-, trans-
• (E)-Carvyl acetate
• t-Carvyl acetate
• trans-Carvyl acetate

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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).
• I_np : Non-polar retention indices.
• I_p : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	22.35	kJ/mol	Joback Calculated Property
ΔvapH°	68.93	kJ/mol	Relay (1.0) Calculated Property
IE	8.75	eV	Relay (1.0) Calculated Property
log10WS	-2.89		Relay (1.0) Calculated Property
logPoct/wat	2.850		Crippen Calculated Property
McVol	167.920	ml/mol	McGowan Calculated Property
Inp	[1289.00; 1364.00]
Inp	1342.00		NIST
Inp	1327.00		NIST
Inp	1337.00		NIST
Inp	1338.00		NIST
Inp	1342.00		NIST
Inp	1312.00		NIST
Inp	1325.00		NIST
Inp	1337.00		NIST
Inp	1316.00		NIST
Inp	1339.00		NIST
Inp	1312.00		NIST
Inp	1335.00		NIST
Inp	1337.00		NIST
Inp	1339.00		NIST
Inp	1338.00		NIST
Inp	1328.00		NIST
Inp	Outlier 1289.00		NIST
Inp	Outlier 1291.00		NIST
Inp	1333.00		NIST
Inp	1337.00		NIST
Inp	1328.00		NIST
Inp	1340.00		NIST
Inp	1345.00		NIST
Inp	1337.00		NIST
Inp	Outlier 1364.00		NIST
Inp	1342.00		NIST
Inp	1337.00		NIST
Inp	1314.00		NIST
Inp	1332.00		NIST
Inp	1343.00		NIST
Inp	1339.00		NIST
Inp	1326.00		NIST
Inp	1331.00		NIST
Inp	1339.00		NIST
Inp	1338.00		NIST
Inp	1337.00		NIST
Inp	1322.00		NIST
Inp	1327.00		NIST
Inp	1337.00		NIST
Inp	1338.00		NIST
Inp	1333.00		NIST
Inp	1339.00		NIST
Inp	1337.00		NIST
Inp	1307.00		NIST
Inp	1337.00		NIST
Inp	1327.00		NIST
Inp	1327.00		NIST
Inp	1338.00		NIST
Inp	1337.00		NIST
Ip	[1705.00; 1759.00]
Ip	1759.00		NIST
Ip	1746.00		NIST
Ip	Outlier 1705.00		NIST
Ip	1732.00		NIST
Ip	1749.00		NIST
Ip	1747.00		NIST
Ip	1747.00		NIST
Ip	1759.00		NIST
Ip	1759.00		NIST
Ip	1749.00		NIST
Ip	1746.00		NIST
Tboil	503.60	K	Relay (1.0) Calculated Property
Tfus	232.21	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[226.95; 575.14]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-2.28800e+01
Coefficient B			1.04906e+00
Coefficient C			-5.05440e-04
Coefficient D			5.44000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	226.95	J/mol×K	273.00	Calculated Property
Cp,gas	287.40	J/mol×K	353.78	Calculated Property
Cp,gas	342.01	J/mol×K	434.56	Calculated Property
Cp,gas	390.95	J/mol×K	515.33	Calculated Property
Cp,gas	434.39	J/mol×K	596.11	Calculated Property
Cp,gas	472.51	J/mol×K	676.89	Calculated Property
Cp,gas	505.47	J/mol×K	757.67	Calculated Property
Cp,gas	533.44	J/mol×K	838.44	Calculated Property
Cp,gas	556.61	J/mol×K	919.22	Calculated Property
Cp,gas	575.14	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to trans-Carveyl acetate.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• 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.
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