Chemical Properties of Nopyl acetate (CAS 128-51-8)

InChI

InChI=1S/C13H20O2/c1-9(14)15-7-6-10-4-5-11-8-12(10)13(11,2)3/h4,11-12H,5-8H2,1-3H3

InChI Key

AWNOGHRWORTNEI-UHFFFAOYSA-N

Formula

C13H20O2

SMILES

CC(=O)OCCC1=CCC2CC1C2(C)C

Molecular Weight¹

208.30

CAS

128-51-8

Other Names

• Bicyclo[3.1.1]hept-2-ene-2-ethanol, 6,6-dimethyl-, acetate
• Citroviol
• Lignyl acetate
• Nopol acetate
• 2-Norpinene-2-ethanol, 6,6-dimethyl-, acetate
• 2-Pinene-10-methyl acetate
• 6,6-Dimethyl-2-norpinene-2-ethanol, acetate
• 6,6-Dimethylbicyclo(3.1.1)-2-heptene-2-ethyl 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°	-58.81	kJ/mol	Joback Calculated Property
ΔfH°gas	-375.80	kJ/mol	Joback Calculated Property
ΔfusH°	21.99	kJ/mol	Joback Calculated Property
ΔvapH°	53.18	kJ/mol	Joback Calculated Property
log10WS	-3.04		Crippen Calculated Property
logPoct/wat	2.932		Crippen Calculated Property
McVol	175.450	ml/mol	McGowan Calculated Property
Pc	2263.26	kPa	Joback Calculated Property
Inp	[1400.00; 1413.10]
Inp	1413.00		NIST
Inp	1413.10		NIST
Inp	1400.00		NIST
Inp	1412.00		NIST
I	[1777.00; 1777.00]
I	1777.00		NIST
I	1777.00		NIST
Tboil	590.59	K	Joback Calculated Property
Tc	797.71	K	Joback Calculated Property
Tfus	373.73	K	Joback Calculated Property
Vc	0.676	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[468.54; 561.07]	J/mol×K	[590.59; 797.71]
Cp,gas	468.54	J/mol×K	590.59	Joback Calculated Property
Cp,gas	486.01	J/mol×K	625.11	Joback Calculated Property
Cp,gas	502.50	J/mol×K	659.63	Joback Calculated Property
Cp,gas	518.12	J/mol×K	694.15	Joback Calculated Property
Cp,gas	533.01	J/mol×K	728.67	Joback Calculated Property
Cp,gas	547.29	J/mol×K	763.19	Joback Calculated Property
Cp,gas	561.07	J/mol×K	797.71	Joback Calculated Property

Similar Compounds

Find more compounds similar to Nopyl acetate.

Sources

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

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