Chemical Properties of 1-Heptanol, 2-(phenylmethylene)-, acetate (CAS 7493-78-9)

InChI

InChI=1S/C16H22O2/c1-3-4-6-11-16(13-18-14(2)17)12-15-9-7-5-8-10-15/h5,7-10,12H,3-4,6,11,13H2,1-2H3/b16-12-

InChI Key

CMJSVJIGLBDCME-VBKFSLOCSA-N

Formula

C16H22O2

SMILES

CCCCCC(=Cc1ccccc1)COC(C)=O

Molecular Weight¹

246.34

CAS

7493-78-9

Other Names

• Cinnamyl alcohol, «alpha»-pentyl-, acetate
• Amyl cinnamic acetate
• «alpha»-n-Amyl-«beta»-phenylacryl acetate
• «alpha»-Pentyl cinnamyl acetate
• «alpha»-N-Amyl cinnamyl acetate
• 2-Pentyl-3-phenyl-2-propenyl acetate
• «alpha»-Amylcinnamyl acetate
• 2-(phenylmethylene)heptyl 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°	34.00	kJ/mol	Joback Calculated Property
ΔfH°gas	-274.41	kJ/mol	Joback Calculated Property
ΔfusH°	32.92	kJ/mol	Joback Calculated Property
ΔvapH°	62.68	kJ/mol	Joback Calculated Property
log10WS	-4.51		Crippen Calculated Property
logPoct/wat	4.213		Crippen Calculated Property
McVol	215.680	ml/mol	McGowan Calculated Property
Pc	1857.91	kPa	Joback Calculated Property
Inp	1757.00		NIST
I	[2318.00; 2318.00]
I	2318.00		NIST
I	2318.00		NIST
Tboil	672.49	K	Joback Calculated Property
Tc	877.77	K	Joback Calculated Property
Tfus	349.62	K	Joback Calculated Property
Vc	0.829	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[577.73; 664.97]	J/mol×K	[672.49; 877.77]
Cp,gas	577.73	J/mol×K	672.49	Joback Calculated Property
Cp,gas	594.64	J/mol×K	706.70	Joback Calculated Property
Cp,gas	610.54	J/mol×K	740.92	Joback Calculated Property
Cp,gas	625.48	J/mol×K	775.13	Joback Calculated Property
Cp,gas	639.50	J/mol×K	809.34	Joback Calculated Property
Cp,gas	652.65	J/mol×K	843.56	Joback Calculated Property
Cp,gas	664.97	J/mol×K	877.77	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1-Heptanol, 2-(phenylmethylene)-, acetate.

Sources

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

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