Chemical Properties of Formic acid, cyclohexyl ester (CAS 4351-54-6)

InChI

InChI=1S/C7H12O2/c8-6-9-7-4-2-1-3-5-7/h6-7H,1-5H2

InChI Key

VUXKVKAHWOVIDN-UHFFFAOYSA-N

Formula

C7H12O2

SMILES

O=COC1CCCCC1

Molecular Weight¹

128.17

CAS

4351-54-6

Other Names

• Cyclohexyl ester of formic acid
• Formic acid, cyclohexyl ester (purified)
• cyclohexyl formate
• cyclohexyl methanoate
• methanoic acid, cyclohexyl ester

• 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_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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).
• T_triple : Triple Point Temperature (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfG°	-172.01	kJ/mol	Joback Calculated Property
ΔfH°gas	-351.29	kJ/mol	Joback Calculated Property
ΔfusH°	9.20	kJ/mol	Joback Calculated Property
ΔvapH°	[49.30; 52.00]	kJ/mol
ΔvapH°	49.30 ± 0.20	kJ/mol	NIST
ΔvapH°	52.00 ± 1.30	kJ/mol	NIST
ΔvapH°	49.50 ± 1.20	kJ/mol	NIST
log10WS	-1.62		Crippen Calculated Property
logPoct/wat	1.492		Crippen Calculated Property
McVol	106.070	ml/mol	McGowan Calculated Property
Pc	3773.04	kPa	Joback Calculated Property
Inp	951.00		NIST
I	[1304.00; 1305.00]
I	1304.00		NIST
I	1305.00		NIST
I	1304.00		NIST
Tboil	450.19	K	Joback Calculated Property
Tc	659.00	K	Joback Calculated Property
Tfus	240.26	K	Joback Calculated Property
Ttriple	201.33 ± 0.15	K	NIST
Vc	0.396	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[221.35; 298.70]	J/mol×K	[450.19; 659.00]
Cp,gas	221.35	J/mol×K	450.19	Joback Calculated Property
Cp,gas	235.94	J/mol×K	484.99	Joback Calculated Property
Cp,gas	249.84	J/mol×K	519.79	Joback Calculated Property
Cp,gas	263.06	J/mol×K	554.59	Joback Calculated Property
Cp,gas	275.61	J/mol×K	589.40	Joback Calculated Property
Cp,gas	287.48	J/mol×K	624.20	Joback Calculated Property
Cp,gas	298.70	J/mol×K	659.00	Joback Calculated Property
η	[0.0003166; 0.0048731]	Pa×s	[240.26; 450.19]
η	0.0048731	Pa×s	240.26	Joback Calculated Property
η	0.0023129	Pa×s	275.25	Joback Calculated Property
η	0.0012987	Pa×s	310.24	Joback Calculated Property
η	0.0008197	Pa×s	345.23	Joback Calculated Property
η	0.0005631	Pa×s	380.21	Joback Calculated Property
η	0.0004121	Pa×s	415.20	Joback Calculated Property
η	0.0003166	Pa×s	450.19	Joback Calculated Property
ΔfusH	10.49	kJ/mol	201.30	NIST
ΔvapH	[47.10; 48.82]	kJ/mol	[303.52; 370.50]
ΔvapH	48.82	kJ/mol	303.52	Compreh...
ΔvapH	47.10	kJ/mol	370.50	NIST

Similar Compounds

Find more compounds similar to Formic acid, cyclohexyl ester.

Mixtures

• Cyclohexanol + Formic acid, cyclohexyl ester + Water

Sources

• Crippen Method
• Crippen Method
• Measurements and Correlation of Liquid-Liquid Equilibria for the Ternary System Cyclohexanol + Water + Cyclohexyl Formate at 298.2-338.2 K
• Comprehensive Study of Vapor Pressures and Enthalpies of Vaporization of Cyclohexyl Esters
• Joback Method
• McGowan Method
• NIST Webbook

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