Chemical Properties of cis-Verbenyl acetate

InChI

InChI=1S/C12H18O2/c1-7-5-11(14-8(2)13)10-6-9(7)12(10,3)4/h5,9-11H,6H2,1-4H3/t9?,10?,11-/m1/s1

InChI Key

OZBFUQLOVFXDNK-VQXHTEKXSA-N

Formula

C12H18O2

SMILES

CC(=O)OC1C=C(C)C2CC1C2(C)C

Molecular Weight¹

194.27

Other Names

• (Z)-Verbenyl 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.
• 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	[1257.00; 1282.00]
Inp	1280.00		NIST
Inp	1257.00		NIST
Inp	1264.00		NIST
Inp	1282.00		NIST
Inp	1279.00		NIST
Inp	1282.00		NIST
Inp	1278.00		NIST
Inp	1279.00		NIST
Inp	1264.00		NIST
Inp	1272.00		NIST
Inp	1272.00		NIST
Inp	1264.00		NIST
Inp	1282.00		NIST
Inp	1257.00		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 cis-Verbenyl acetate.

Sources

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

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