Chemical Properties of trans-Pinocarvyl acetate (CAS 1686-15-3)

InChI

InChI=1S/C12H18O2/c1-7-10-5-9(12(10,3)4)6-11(7)14-8(2)13/h9-11H,1,5-6H2,2-4H3/t9-,10+,11+/m1/s1

InChI Key

UDBAGFUFASPUFS-VWYCJHECSA-N

Formula

C12H18O2

SMILES

C=C1C(OC(C)=O)CC2CC1C2(C)C

Molecular Weight¹

194.27

CAS

1686-15-3

Other Names

• trans-Pinocarveyl acetate
• trans-Pinocarveol, acetate
• (E)-Pinocarvyl 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°	-42.19	kJ/mol	Joback Calculated Property
ΔfH°gas	-337.57	kJ/mol	Joback Calculated Property
ΔfusH°	18.48	kJ/mol	Joback Calculated Property
ΔvapH°	49.85	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	2400.57	kPa	Joback Calculated Property
Inp	[1258.00; 1328.00]
Inp	Outlier 1258.00		NIST
Inp	1298.00		NIST
Inp	1300.00		NIST
Inp	1297.00		NIST
Inp	1297.00		NIST
Inp	1297.00		NIST
Inp	1297.00		NIST
Inp	1295.00		NIST
Inp	1297.00		NIST
Inp	1281.00		NIST
Inp	1298.00		NIST
Inp	1298.00		NIST
Inp	1298.00		NIST
Inp	1297.00		NIST
Inp	Outlier 1328.00		NIST
Inp	1297.00		NIST
Inp	1302.30		NIST
Inp	1299.00		NIST
Inp	1299.00		NIST
Inp	1305.00		NIST
Inp	1295.00		NIST
Inp	1297.00		NIST
Inp	1293.00		NIST
Inp	1295.00		NIST
Inp	1296.30		NIST
Inp	Outlier 1266.00		NIST
Inp	1273.00		NIST
Inp	1273.00		NIST
Inp	1296.00		NIST
Inp	1297.00		NIST
Inp	1297.00		NIST
Inp	1297.00		NIST
Inp	Outlier 1324.00		NIST
Inp	1298.00		NIST
Inp	1278.00		NIST
Inp	1297.00		NIST
Inp	1297.00		NIST
Inp	1298.00		NIST
Inp	1307.00		NIST
Inp	1307.00		NIST
Inp	1291.00		NIST
I	[1641.00; 1682.00]
I	1682.00		NIST
I	Outlier 1641.00		NIST
I	1662.00		NIST
I	1657.00		NIST
I	1661.00		NIST
I	1661.00		NIST
I	1661.00		NIST
I	1661.00		NIST
I	1671.00		NIST
Tboil	558.06	K	Joback Calculated Property
Tc	767.19	K	Joback Calculated Property
Tfus	358.62	K	Joback Calculated Property
Vc	0.618	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[418.91; 511.38]	J/mol×K	[558.06; 767.19]
Cp,gas	418.91	J/mol×K	558.06	Joback Calculated Property
Cp,gas	436.52	J/mol×K	592.92	Joback Calculated Property
Cp,gas	453.10	J/mol×K	627.77	Joback Calculated Property
Cp,gas	468.76	J/mol×K	662.63	Joback Calculated Property
Cp,gas	483.62	J/mol×K	697.48	Joback Calculated Property
Cp,gas	497.79	J/mol×K	732.34	Joback Calculated Property
Cp,gas	511.38	J/mol×K	767.19	Joback Calculated Property

Similar Compounds

Find more compounds similar to trans-Pinocarvyl 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.