Urea, (1,1-dimethylethyl)- (CAS 1118-12-3)

InChI

InChI=1S/C5H12N2O/c1-5(2,3)7-4(6)8/h1-3H3,(H3,6,7,8)

InChI Key

JLEHSYHLHLHPAL-UHFFFAOYSA-N

Formula

C5H12N2O

SMILES

CC(C)(C)NC(N)=O

Molecular Weight¹

116.16

CAS

1118-12-3

Other Names

(1,1-dimethylethyl)urea
N-(1,1-dimethylethyl)urea
N-tert-butylurea
Urea, tert-butyl-
mono-tert-butylurea
tert-butylurea
urea, 1,1-dimethylethyl-
urea, mono-tert-butyl-

ω : Acentric Factor.
Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
C_p,gas : Ideal gas heat capacity (J/mol×K).
Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
Δ_fH°_solid : Solid phase 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_subH° : Enthalpy of sublimation at standard conditions (kJ/mol).
Δ_subH : Enthalpy of sublimation at a given temperature (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_sub : Sublimation pressure (kPa).
Δ_fusS : Entropy of fusion at a given temperature (J/mol×K).
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.

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Physical Properties

Property	Value	Unit	Source
ω	0.5610		Relay (1.0) Calculated Property
Δ_cH°_solid	-3267.80 ± 0.53	kJ/mol	NIST
Δ_fG°	20.98	kJ/mol	Joback Calculated Property
Δ_fH°_gas	-314.00 ± 1.50	kJ/mol	NIST
Δ_fH°_solid	-414.73 ± 0.87	kJ/mol	NIST
Δ_fusH°	13.19	kJ/mol	Joback Calculated Property
Δ_subH°	98.20 ± 0.40	kJ/mol	NIST
Δ_vapH°	58.60	kJ/mol	Relay (1.0) Calculated Property
IE	8.65	eV	Relay (1.0) Calculated Property
log₁₀WS	-0.87		Relay (1.0) Calculated Property
logP_oct/wat	0.453		Crippen Calculated Property
McVol	102.840	ml/mol	McGowan Calculated Property
P_c	4183.90	kPa	Joback Calculated Property
T_boil	465.91	K	Relay (1.0) Calculated Property
T_c	660.57	K	Relay (1.0) Calculated Property
T_fus	449.80 ± 0.70	K	NIST
V_c	0.371	m³/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
C_p,gas	[232.97; 289.72]	J/mol×K	[487.14; 695.87]

C_p,gas	232.97	J/mol×K	487.14	Joback Calculated Property
C_p,gas	244.05	J/mol×K	521.93	Joback Calculated Property
C_p,gas	254.43	J/mol×K	556.72	Joback Calculated Property
C_p,gas	264.15	J/mol×K	591.50	Joback Calculated Property
C_p,gas	273.25	J/mol×K	626.29	Joback Calculated Property
C_p,gas	281.76	J/mol×K	661.08	Joback Calculated Property
C_p,gas	289.72	J/mol×K	695.87	Joback Calculated Property
Δ_fusH	[0.10; 33.13]	kJ/mol	[249.00; 449.80]
Δ_fusH	0.10	kJ/mol	249.00	NIST
Δ_fusH	33.13	kJ/mol	449.80	NIST
Δ_fusH	33.13	kJ/mol	449.80	NIST
Δ_fusH	33.13	kJ/mol	449.80	NIST
Δ_subH	[94.40; 101.60]	kJ/mol	[350.00; 379.00]

Δ_subH	94.40 ± 0.90	kJ/mol	350.00	NIST
Δ_subH	97.60 ± 0.80	kJ/mol	352.50	NIST
Δ_subH	97.70 ± 0.80	kJ/mol	352.50	NIST
Δ_subH	100.70 ± 1.20	kJ/mol	354.00	NIST
Δ_subH	101.60 ± 0.70	kJ/mol	379.00	NIST
P_sub	[2.70e-04; 0.06]	kPa	[335.30; 397.20]

P_sub	2.70e-04	kPa	335.30	Measurement and Prediction of Thermochemical Properties: Improved Increments for the Estimation of Enthalpies of Sublimation and Standard Enthalpies of Formation of Alkyl Derivatives of Urea
P_sub	5.10e-04	kPa	340.30	Measurement and Prediction of Thermochemical Properties: Improved Increments for the Estimation of Enthalpies of Sublimation and Standard Enthalpies of Formation of Alkyl Derivatives of Urea
P_sub	1.04e-03	kPa	348.20	Measurement and Prediction of Thermochemical Properties: Improved Increments for the Estimation of Enthalpies of Sublimation and Standard Enthalpies of Formation of Alkyl Derivatives of Urea
P_sub	2.35e-03	kPa	357.00	Measurement and Prediction of Thermochemical Properties: Improved Increments for the Estimation of Enthalpies of Sublimation and Standard Enthalpies of Formation of Alkyl Derivatives of Urea
P_sub	3.15e-03	kPa	360.20	Measurement and Prediction of Thermochemical Properties: Improved Increments for the Estimation of Enthalpies of Sublimation and Standard Enthalpies of Formation of Alkyl Derivatives of Urea
P_sub	4.19e-03	kPa	363.10	Measurement and Prediction of Thermochemical Properties: Improved Increments for the Estimation of Enthalpies of Sublimation and Standard Enthalpies of Formation of Alkyl Derivatives of Urea
P_sub	5.23e-03	kPa	366.00	Measurement and Prediction of Thermochemical Properties: Improved Increments for the Estimation of Enthalpies of Sublimation and Standard Enthalpies of Formation of Alkyl Derivatives of Urea
P_sub	7.02e-03	kPa	369.10	Measurement and Prediction of Thermochemical Properties: Improved Increments for the Estimation of Enthalpies of Sublimation and Standard Enthalpies of Formation of Alkyl Derivatives of Urea
P_sub	8.74e-03	kPa	372.20	Measurement and Prediction of Thermochemical Properties: Improved Increments for the Estimation of Enthalpies of Sublimation and Standard Enthalpies of Formation of Alkyl Derivatives of Urea
P_sub	0.01	kPa	376.10	Measurement and Prediction of Thermochemical Properties: Improved Increments for the Estimation of Enthalpies of Sublimation and Standard Enthalpies of Formation of Alkyl Derivatives of Urea
P_sub	0.02	kPa	379.20	Measurement and Prediction of Thermochemical Properties: Improved Increments for the Estimation of Enthalpies of Sublimation and Standard Enthalpies of Formation of Alkyl Derivatives of Urea
P_sub	0.02	kPa	382.20	Measurement and Prediction of Thermochemical Properties: Improved Increments for the Estimation of Enthalpies of Sublimation and Standard Enthalpies of Formation of Alkyl Derivatives of Urea
P_sub	0.03	kPa	385.20	Measurement and Prediction of Thermochemical Properties: Improved Increments for the Estimation of Enthalpies of Sublimation and Standard Enthalpies of Formation of Alkyl Derivatives of Urea
P_sub	0.03	kPa	388.20	Measurement and Prediction of Thermochemical Properties: Improved Increments for the Estimation of Enthalpies of Sublimation and Standard Enthalpies of Formation of Alkyl Derivatives of Urea
P_sub	0.04	kPa	391.20	Measurement and Prediction of Thermochemical Properties: Improved Increments for the Estimation of Enthalpies of Sublimation and Standard Enthalpies of Formation of Alkyl Derivatives of Urea
P_sub	0.05	kPa	394.20	Measurement and Prediction of Thermochemical Properties: Improved Increments for the Estimation of Enthalpies of Sublimation and Standard Enthalpies of Formation of Alkyl Derivatives of Urea
P_sub	0.06	kPa	397.20	Measurement and Prediction of Thermochemical Properties: Improved Increments for the Estimation of Enthalpies of Sublimation and Standard Enthalpies of Formation of Alkyl Derivatives of Urea
Δ_fusS	[0.41; 73.65]	J/mol×K	[249.00; 449.80]
Δ_fusS	0.41	J/mol×K	249.00	NIST
Δ_fusS	73.60	J/mol×K	449.80	NIST
Δ_fusS	73.65	J/mol×K	449.80	NIST

Similar Compounds

Propanamide, N-(1,1-dimethylethyl)-2,2-dimethyl-.

Ethanamine, 1,1-dimethyl, N-(1-methylethyl).

Find more compounds similar to Urea, (1,1-dimethylethyl)-.

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Chemical Properties of Urea, (1,1-dimethylethyl)- (CAS 1118-12-3)

Physical Properties

Temperature Dependent Properties

Similar Compounds

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