Chemical Properties of Heptanoic acid, heptyl ester (CAS 624-09-9)

InChI

InChI=1S/C14H28O2/c1-3-5-7-9-11-13-16-14(15)12-10-8-6-4-2/h3-13H2,1-2H3

InChI Key

QOIIBPAJVWFEPE-UHFFFAOYSA-N

Formula

C14H28O2

SMILES

CCCCCCCOC(=O)CCCCCC

Molecular Weight¹

228.37

CAS

624-09-9

Other Names

• Heptyl heptanoate
• Heptyl heptoate

• 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).
• P_vap : Vapor pressure (kPa).
• 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°	-166.92	kJ/mol	Joback Calculated Property
ΔfH°gas	-577.09	kJ/mol	Joback Calculated Property
ΔfusH°	34.80	kJ/mol	Joback Calculated Property
ΔvapH°	55.91	kJ/mol	Joback Calculated Property
log10WS	-4.55		Crippen Calculated Property
logPoct/wat	4.470		Crippen Calculated Property
McVol	215.560	ml/mol	McGowan Calculated Property
Pc	1579.71	kPa	Joback Calculated Property
Tboil	[544.00; 550.36]	K
Tboil	550.36 ± 0.30	K	NIST
Tboil	547.80 ± 3.00	K	NIST
Tboil	550.00 ± 3.00	K	NIST
Tboil	544.00 ± 4.00	K	NIST
Tc	764.02	K	Joback Calculated Property
Tfus	239.90 ± 0.50	K	NIST
Vc	0.844	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[567.02; 658.29]	J/mol×K	[596.01; 764.02]
Cp,gas	567.02	J/mol×K	596.01	Joback Calculated Property
Cp,gas	583.90	J/mol×K	624.01	Joback Calculated Property
Cp,gas	600.10	J/mol×K	652.01	Joback Calculated Property
Cp,gas	615.63	J/mol×K	680.02	Joback Calculated Property
Cp,gas	630.49	J/mol×K	708.02	Joback Calculated Property
Cp,gas	644.71	J/mol×K	736.02	Joback Calculated Property
Cp,gas	658.29	J/mol×K	764.02	Joback Calculated Property
η	[0.0001532; 0.0027735]	Pa×s	[319.70; 596.01]
η	0.0027735	Pa×s	319.70	Joback Calculated Property
η	0.0012632	Pa×s	365.75	Joback Calculated Property
η	0.0006860	Pa×s	411.80	Joback Calculated Property
η	0.0004212	Pa×s	457.86	Joback Calculated Property
η	0.0002827	Pa×s	503.91	Joback Calculated Property
η	0.0002029	Pa×s	549.96	Joback Calculated Property
η	0.0001532	Pa×s	596.01	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[417.12; 582.61]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.51178e+01
Coefficient B			-4.79058e+03
Coefficient C			-9.40920e+01
Temperature range, min.			417.12
Temperature range, max.			582.61
Pvap	1.33	kPa	417.12	Calculated Property
Pvap	2.96	kPa	435.51	Calculated Property
Pvap	6.07	kPa	453.90	Calculated Property
Pvap	11.60	kPa	472.28	Calculated Property
Pvap	20.86	kPa	490.67	Calculated Property
Pvap	35.64	kPa	509.06	Calculated Property
Pvap	58.16	kPa	527.45	Calculated Property
Pvap	91.21	kPa	545.83	Calculated Property
Pvap	138.09	kPa	564.22	Calculated Property
Pvap	202.65	kPa	582.61	Calculated Property

Similar Compounds

Find more compounds similar to Heptanoic acid, heptyl ester.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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