Chemical Properties of Carbonic acid, dibutyl ester (CAS 542-52-9)

InChI

InChI=1S/C9H18O3/c1-3-5-7-11-9(10)12-8-6-4-2/h3-8H2,1-2H3

InChI Key

QLVWOKQMDLQXNN-UHFFFAOYSA-N

Formula

C9H18O3

SMILES

CCCCOC(=O)OCCCC

Molecular Weight¹

174.24

CAS

542-52-9

Other Names

• Carbonic acid, di-n-butyl ester
• Di-n-butyl carbonate
• dibutyl carbonate
• n-C4H9OC(O)OC4H9-n
• n-butyl carbonate

• 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).
• P_vap : Vapor pressure (kPa).
• ρ_l : Liquid Density (kg/m³).
• 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	0.6392		Relay (1.0) Calculated Property
ΔfG°	-390.47	kJ/mol	Joback Calculated Property
ΔfH°gas	-717.30	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	24.62	kJ/mol	Joback Calculated Property
ΔvapH°	62.90 ± 0.40	kJ/mol	NIST
IE	10.12	eV	Relay (1.0) Calculated Property
log10WS	-2.82		Relay (1.0) Calculated Property
logPoct/wat	2.740		Crippen Calculated Property
McVol	150.980	ml/mol	McGowan Calculated Property
Pc	2280.59	kPa	Joback Calculated Property
Tboil	[480.60; 481.00]	K
Tboil	480.60 ± 0.60	K	NIST
Tboil	481.00 ± 0.40	K	NIST
Tc	619.10	K	Relay (1.0) Calculated Property
Tfus	198.47	K	Relay (1.0) Calculated Property
Vc	0.597	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[342.45; 415.27]	J/mol×K	[486.16; 656.41]
Cp,gas	342.45	J/mol×K	486.16	Joback Calculated Property
Cp,gas	355.74	J/mol×K	514.54	Joback Calculated Property
Cp,gas	368.57	J/mol×K	542.91	Joback Calculated Property
Cp,gas	380.94	J/mol×K	571.29	Joback Calculated Property
Cp,gas	392.85	J/mol×K	599.66	Joback Calculated Property
Cp,gas	404.30	J/mol×K	628.04	Joback Calculated Property
Cp,gas	415.27	J/mol×K	656.41	Joback Calculated Property
η	[0.0001857; 0.0040992]	Pa×s	[255.75; 486.16]
η	0.0040992	Pa×s	255.75	Joback Calculated Property
η	0.0017480	Pa×s	294.15	Joback Calculated Property
η	0.0009076	Pa×s	332.55	Joback Calculated Property
η	0.0005397	Pa×s	370.96	Joback Calculated Property
η	0.0003538	Pa×s	409.36	Joback Calculated Property
η	0.0002494	Pa×s	447.76	Joback Calculated Property
η	0.0001857	Pa×s	486.16	Joback Calculated Property
Pvap	[8.56e-03; 0.24]	kPa	[287.10; 329.10]
Pvap	8.56e-03	kPa	287.10	Vapour pressure and enthalpy of vaporization of aliphatic dialkyl carbonates
Pvap	0.01	kPa	290.10	Vapour pressure and enthalpy of vaporization of aliphatic dialkyl carbonates
Pvap	0.02	kPa	292.90	Vapour pressure and enthalpy of vaporization of aliphatic dialkyl carbonates
Pvap	0.02	kPa	296.80	Vapour pressure and enthalpy of vaporization of aliphatic dialkyl carbonates
Pvap	0.03	kPa	299.80	Vapour pressure and enthalpy of vaporization of aliphatic dialkyl carbonates
Pvap	0.03	kPa	300.60	Vapour pressure and enthalpy of vaporization of aliphatic dialkyl carbonates
Pvap	0.03	kPa	302.10	Vapour pressure and enthalpy of vaporization of aliphatic dialkyl carbonates
Pvap	0.03	kPa	303.10	Vapour pressure and enthalpy of vaporization of aliphatic dialkyl carbonates
Pvap	0.04	kPa	305.00	Vapour pressure and enthalpy of vaporization of aliphatic dialkyl carbonates
Pvap	0.04	kPa	306.10	Vapour pressure and enthalpy of vaporization of aliphatic dialkyl carbonates
Pvap	0.05	kPa	307.10	Vapour pressure and enthalpy of vaporization of aliphatic dialkyl carbonates
Pvap	0.06	kPa	308.60	Vapour pressure and enthalpy of vaporization of aliphatic dialkyl carbonates
Pvap	0.06	kPa	311.00	Vapour pressure and enthalpy of vaporization of aliphatic dialkyl carbonates
Pvap	0.08	kPa	313.20	Vapour pressure and enthalpy of vaporization of aliphatic dialkyl carbonates
Pvap	0.09	kPa	315.20	Vapour pressure and enthalpy of vaporization of aliphatic dialkyl carbonates
Pvap	0.11	kPa	317.60	Vapour pressure and enthalpy of vaporization of aliphatic dialkyl carbonates
Pvap	0.14	kPa	320.70	Vapour pressure and enthalpy of vaporization of aliphatic dialkyl carbonates
Pvap	0.15	kPa	323.30	Vapour pressure and enthalpy of vaporization of aliphatic dialkyl carbonates
Pvap	0.18	kPa	324.90	Vapour pressure and enthalpy of vaporization of aliphatic dialkyl carbonates
Pvap	0.20	kPa	326.20	Vapour pressure and enthalpy of vaporization of aliphatic dialkyl carbonates
Pvap	0.24	kPa	329.10	Vapour pressure and enthalpy of vaporization of aliphatic dialkyl carbonates
ρl	925.17	kg/m3	298.15	Isobaric Vapor Liquid Equilibrium for Two Binary Systems (Methanol + Dibutyl Carbonate) and (n-Butanol + Dibutyl Carbonate) at p = 40.0, 70.0, and 100.0 kPa

Similar Compounds

Find more compounds similar to Carbonic acid, dibutyl ester.

Mixtures

• Carbonic acid, dibutyl ester + Methyl Alcohol
• Carbonic acid, dibutyl ester + 1-Butanol

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Vapour pressure and enthalpy of vaporization of aliphatic dialkyl carbonates
• Isobaric Vapor Liquid Equilibrium for Two Binary Systems (Methanol + Dibutyl Carbonate) and (n-Butanol + Dibutyl Carbonate) at p = 40.0, 70.0, and 100.0 kPa
• Joback Method
• McGowan Method
• NIST Webbook

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