Chemical Properties of Benzoic acid, heptyl ester (CAS 7155-12-6)

InChI

InChI=1S/C14H20O2/c1-2-3-4-5-9-12-16-14(15)13-10-7-6-8-11-13/h6-8,10-11H,2-5,9,12H2,1H3

InChI Key

UMFTYCUYCNMERS-UHFFFAOYSA-N

Formula

C14H20O2

SMILES

CCCCCCCOC(=O)c1ccccc1

Molecular Weight¹

220.31

CAS

7155-12-6

Other Names

• n-Heptyl benzoate
• heptyl benzoate

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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°	-54.51	kJ/mol	Joback Calculated Property
ΔfH°gas	-340.56	kJ/mol	Joback Calculated Property
ΔfusH°	28.84	kJ/mol	Joback Calculated Property
ΔvapH°	58.19	kJ/mol	Joback Calculated Property
log10WS	-4.23		Crippen Calculated Property
logPoct/wat	3.814		Crippen Calculated Property
McVol	191.800	ml/mol	McGowan Calculated Property
Pc	2094.58	kPa	Joback Calculated Property
Inp	[1638.00; 1704.00]
Inp	1663.10		NIST
Inp	1682.49		NIST
Inp	1665.00		NIST
Inp	1657.00		NIST
Inp	1657.00		NIST
Inp	1660.00		NIST
Inp	1670.00		NIST
Inp	1672.00		NIST
Inp	1657.00		NIST
Inp	1665.00		NIST
Inp	1673.00		NIST
Inp	1638.00		NIST
Inp	1646.00		NIST
Inp	1654.00		NIST
Inp	Outlier 1704.00		NIST
Inp	1651.00		NIST
Inp	1668.00		NIST
Inp	1653.00		NIST
Inp	1662.00		NIST
Inp	1683.00		NIST
Inp	1663.10		NIST
Inp	1660.00		NIST
Inp	1673.00		NIST
Inp	Outlier 1704.00		NIST
Inp	1683.00		NIST
I	[2142.00; 2217.00]
I	2184.00		NIST
I	2169.00		NIST
I	2198.00		NIST
I	2199.00		NIST
I	2174.00		NIST
I	2184.00		NIST
I	2207.00		NIST
I	2151.00		NIST
I	2176.00		NIST
I	2142.00		NIST
I	2158.00		NIST
I	2217.00		NIST
I	2217.00		NIST
I	2151.00		NIST
I	2184.00		NIST
Tboil	622.69	K	Joback Calculated Property
Tc	822.76	K	Joback Calculated Property
Tfus	346.12	K	Joback Calculated Property
Vc	0.736	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[494.13; 579.01]	J/mol×K	[622.69; 822.76]
Cp,gas	494.13	J/mol×K	622.69	Joback Calculated Property
Cp,gas	510.47	J/mol×K	656.04	Joback Calculated Property
Cp,gas	525.89	J/mol×K	689.38	Joback Calculated Property
Cp,gas	540.43	J/mol×K	722.73	Joback Calculated Property
Cp,gas	554.11	J/mol×K	756.07	Joback Calculated Property
Cp,gas	566.96	J/mol×K	789.42	Joback Calculated Property
Cp,gas	579.01	J/mol×K	822.76	Joback Calculated Property
η	[0.0001517; 0.0020543]	Pa×s	[346.12; 622.69]
η	0.0020543	Pa×s	346.12	Joback Calculated Property
η	0.0010310	Pa×s	392.21	Joback Calculated Property
η	0.0005982	Pa×s	438.31	Joback Calculated Property
η	0.0003849	Pa×s	484.40	Joback Calculated Property
η	0.0002674	Pa×s	530.50	Joback Calculated Property
η	0.0001969	Pa×s	576.60	Joback Calculated Property
η	0.0001517	Pa×s	622.69	Joback Calculated Property

Similar Compounds

Find more compounds similar to Benzoic acid, heptyl ester.

Sources

• 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.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.