Chemical Properties of Heptan-2-yl formate (CAS 103884-53-3)

InChI

InChI=1S/C8H16O2/c1-3-4-5-6-8(2)10-7-9/h7-8H,3-6H2,1-2H3

InChI Key

SEIYVCWCDDKKIS-UHFFFAOYSA-N

Formula

C8H16O2

SMILES

CCCCCC(C)OC=O

Molecular Weight¹

144.21

CAS

103884-53-3

Other Names

• Formic acid, hept-2-yl ester

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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.
• 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
ω	0.5130		Relay (1.0) Calculated Property
ΔfG°	-243.95	kJ/mol	Joback Calculated Property
ΔfH°gas	-498.19	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	19.00	kJ/mol	Joback Calculated Property
ΔvapH°	50.11	kJ/mol	Relay (1.0) Calculated Property
IE	10.32	eV	Relay (1.0) Calculated Property
log10WS	-2.75		Relay (1.0) Calculated Property
logPoct/wat	2.128		Crippen Calculated Property
McVol	131.020	ml/mol	McGowan Calculated Property
Pc	2600.43	kPa	Joback Calculated Property
Inp	[969.40; 986.00]
Inp	986.00		NIST
Inp	969.40		NIST
Tboil	420.27	K	Relay (1.0) Calculated Property
Tc	601.28	K	Relay (1.0) Calculated Property
Tfus	218.65	K	Relay (1.0) Calculated Property
Vc	0.494	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[185.70; 424.57]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-1.06600e+00
Coefficient B			8.18040e-01
Coefficient C			-5.27400e-04
Coefficient D			1.35000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	185.70	J/mol×K	273.00	Calculated Property
Cp,gas	228.31	J/mol×K	353.78	Calculated Property
Cp,gas	265.90	J/mol×K	434.56	Calculated Property
Cp,gas	298.91	J/mol×K	515.33	Calculated Property
Cp,gas	327.76	J/mol×K	596.11	Calculated Property
Cp,gas	352.88	J/mol×K	676.89	Calculated Property
Cp,gas	374.69	J/mol×K	757.67	Calculated Property
Cp,gas	393.63	J/mol×K	838.44	Calculated Property
Cp,gas	410.11	J/mol×K	919.22	Calculated Property
Cp,gas	424.57	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0036765; 0.0004000]	Pa×s	[223.62; 428.65]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.02437e+01
Coefficient B			1.03713e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			223.62
Temperature range, max.			428.65
η	0.0036765	Pa×s	223.62	Calculated Property
η	0.0023945	Pa×s	246.40	Calculated Property
η	0.0016769	Pa×s	269.18	Calculated Property
η	0.0012415	Pa×s	291.96	Calculated Property
η	0.0009600	Pa×s	314.74	Calculated Property
η	0.0007686	Pa×s	337.52	Calculated Property
η	0.0006329	Pa×s	360.30	Calculated Property
η	0.0005333	Pa×s	383.08	Calculated Property
η	0.0004581	Pa×s	405.87	Calculated Property
η	0.0004000	Pa×s	428.65	Calculated Property

Similar Compounds

Find more compounds similar to Heptan-2-yl formate.

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.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
These property values are available through the Cheméo API. A free account gives you an access key.