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_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• 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_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	32.92	kJ/mol	Joback 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	587.16	K	Relay (1.0) Calculated Property
Tfus	272.20	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

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

• Cheméo Relay (1.0)
• 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.