Chemical Properties of Heptanoic acid, pentyl ester (CAS 7493-82-5)

InChI

InChI=1S/C12H24O2/c1-3-5-7-8-10-12(13)14-11-9-6-4-2/h3-11H2,1-2H3

InChI Key

PSQMUBJRXIGVIT-UHFFFAOYSA-N

Formula

C12H24O2

SMILES

CCCCCCC(=O)OCCCCC

Molecular Weight¹

200.32

CAS

7493-82-5

Other Names

• pentyl heptanoate

• 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).
• 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°	-183.76	kJ/mol	Joback Calculated Property
ΔfH°gas	-535.81	kJ/mol	Joback Calculated Property
ΔfusH°	29.62	kJ/mol	Joback Calculated Property
ΔvapH°	51.46	kJ/mol	Joback Calculated Property
log10WS	-3.71		Crippen Calculated Property
logPoct/wat	3.690		Crippen Calculated Property
McVol	187.380	ml/mol	McGowan Calculated Property
Pc	1851.52	kPa	Joback Calculated Property
Inp	1375.00		NIST
I	[1600.00; 1600.00]
I	1600.00		NIST
I	1600.00		NIST
Tboil	[396.15; 518.59]	K
Tboil	396.15 ± 5.00	K	NIST
Tboil	518.59 ± 0.30	K	NIST
Tc	720.05	K	Joback Calculated Property
Tfus	[223.70; 224.20]	K
Tfus	224.20 ± 0.80	K	NIST
Tfus	223.70 ± 0.50	K	NIST
Vc	0.732	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[464.17; 549.22]	J/mol×K	[550.25; 720.05]
Cp,gas	464.17	J/mol×K	550.25	Joback Calculated Property
Cp,gas	479.84	J/mol×K	578.55	Joback Calculated Property
Cp,gas	494.90	J/mol×K	606.85	Joback Calculated Property
Cp,gas	509.36	J/mol×K	635.15	Joback Calculated Property
Cp,gas	523.23	J/mol×K	663.45	Joback Calculated Property
Cp,gas	536.51	J/mol×K	691.75	Joback Calculated Property
Cp,gas	549.22	J/mol×K	720.05	Joback Calculated Property
η	[0.0001878; 0.0030867]	Pa×s	[297.16; 550.25]
η	0.0030867	Pa×s	297.16	Joback Calculated Property
η	0.0014485	Pa×s	339.34	Joback Calculated Property
η	0.0008035	Pa×s	381.52	Joback Calculated Property
η	0.0005012	Pa×s	423.70	Joback Calculated Property
η	0.0003406	Pa×s	465.89	Joback Calculated Property
η	0.0002467	Pa×s	508.07	Joback Calculated Property
η	0.0001878	Pa×s	550.25	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[391.84; 549.30]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.50918e+01
Coefficient B			-4.53798e+03
Coefficient C			-8.53070e+01
Temperature range, min.			391.84
Temperature range, max.			549.30
Pvap	1.33	kPa	391.84	Calculated Property
Pvap	2.97	kPa	409.34	Calculated Property
Pvap	6.08	kPa	426.83	Calculated Property
Pvap	11.61	kPa	444.33	Calculated Property
Pvap	20.89	kPa	461.82	Calculated Property
Pvap	35.67	kPa	479.32	Calculated Property
Pvap	58.21	kPa	496.81	Calculated Property
Pvap	91.27	kPa	514.31	Calculated Property
Pvap	138.15	kPa	531.80	Calculated Property
Pvap	202.66	kPa	549.30	Calculated Property

Similar Compounds

Find more compounds similar to Heptanoic acid, pentyl ester.

Sources

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

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