Chemical Properties of Carquejyl acetate

InChI

InChI=1S/C12H16O2/c1-8(2)12-9(3)6-5-7-11(12)14-10(4)13/h5,7,11-12H,1,3,6H2,2,4H3

InChI Key

LCKQEGQKVDFBIO-UHFFFAOYSA-N

Formula

C12H16O2

SMILES

C=C(C)C1C(=C)CC=CC1OC(C)=O

Molecular Weight¹

192.25

• 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°	-4.69	kJ/mol	Joback Calculated Property
ΔfH°gas	-244.17	kJ/mol	Joback Calculated Property
ΔfusH°	20.00	kJ/mol	Joback Calculated Property
ΔvapH°	51.44	kJ/mol	Joback Calculated Property
log10WS	-3.03		Crippen Calculated Property
logPoct/wat	2.626		Crippen Calculated Property
McVol	163.620	ml/mol	McGowan Calculated Property
Pc	2379.54	kPa	Joback Calculated Property
Inp	[1289.00; 1293.00]
Inp	1289.00		NIST
Inp	1293.00		NIST
I	[1669.00; 1736.00]
I	1736.00		NIST
I	1669.00		NIST
I	1669.00		NIST
Tboil	560.01	K	Joback Calculated Property
Tc	770.57	K	Joback Calculated Property
Tfus	299.02	K	Joback Calculated Property
Vc	0.616	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[395.25; 483.84]	J/mol×K	[560.01; 770.57]
Cp,gas	395.25	J/mol×K	560.01	Joback Calculated Property
Cp,gas	412.24	J/mol×K	595.10	Joback Calculated Property
Cp,gas	428.33	J/mol×K	630.20	Joback Calculated Property
Cp,gas	443.52	J/mol×K	665.29	Joback Calculated Property
Cp,gas	457.83	J/mol×K	700.38	Joback Calculated Property
Cp,gas	471.26	J/mol×K	735.48	Joback Calculated Property
Cp,gas	483.84	J/mol×K	770.57	Joback Calculated Property

Similar Compounds

Find more compounds similar to Carquejyl acetate.

Sources

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

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